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2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc. ABOUT US | MATERIALS DESIGN INC Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services they need to VASP6 - MATERIALS DESIGN 2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc.MY MATERIALS DESIGN
Recent Webinars Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof. This webinar will show how atomic-scale modeling with MedeA® is complementary to experimental spectroscopic techniques such as XPS, IR/Raman, NMR, and impedance measurements. HOME | MATERIALS DESIGN INCPRODUCTSSERVICESRESOURCESUGM 2020COMPANYPROPERTY MODULES MedeA Environment. The Most Comprehensive Atomistic Modeling and Simulation Software for Materials Science MedeA is the leading environment for the atomistic simulation of materials. MedeA enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. . In MedeA, world-class simulation PRODUCTS | MATERIALS DESIGN INC The MedeA Environment modeling suite enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. The MedeA Environment offers world-class simulation engines integrated with elaborated property prediction modules, experimental databases, structure builders and analysis tools, all together in- DATABASES
2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc. ABOUT US | MATERIALS DESIGN INC Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services they need to VASP6 - MATERIALS DESIGN 2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc.MY MATERIALS DESIGN
Recent Webinars Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof. This webinar will show how atomic-scale modeling with MedeA® is complementary to experimental spectroscopic techniques such as XPS, IR/Raman, NMR, and impedance measurements. HOME | MATERIALS DESIGN INC MedeA Environment. The Most Comprehensive Atomistic Modeling and Simulation Software for Materials Science MedeA is the leading environment for the atomistic simulation of materials. MedeA enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. . In MedeA, world-class simulation PRODUCTS | MATERIALS DESIGN INC The MedeA Environment modeling suite enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. The MedeA Environment offers world-class simulation engines integrated with elaborated property prediction modules, experimental databases, structure builders and analysis tools, all together in ABOUT US | MATERIALS DESIGN INC Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services they need toSOFTWARE RELEASES
Materials Design offers our diverse clients the tools they need to stay at the top of their respective fields. MedeA is a leading atomistic simulation software package that brings together what you need in a user-friendly environment.. Licensed MedeA users may download the most recent version of our software at any time. Don’t have a MedeA license? ? Learn more about MedeA from our ProductsMEDEA SOFTWARE
2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc.MY MATERIALS DESIGN
Recent Webinars Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof. This webinar will show how atomic-scale modeling with MedeA® is complementary to experimental spectroscopic techniques such as XPS, IR/Raman, NMR, and impedance measurements. WIMMER2020 - MATERIALS DESIGN A new interatomic embedded atom method (EAM) potential, called BMD19, has been developed for simulations of hexagonal zirconium withdissolved hydrogen.
KEROGENS AND COALS
Kerogen and Coal structures. Kerogen is defined as the fraction of sedimentary organic matter that is insoluble in good solvents like toluene. A large range of possible compositions can be found, depending on the origin of the organic matter (algae, bacteria, higher plants) , the conditions of preservation (anoxicity, pH) and thermalmaturity.
MEDEA DATABASES
MedeA Pearson. MedeA Pearson encompasses more than 300,000 structure records of more than 95,000 different phases and is the world’s largest critically-evaluated, ‘non-organic database’. With a particular focus on alloys and intermetallics, MedeA Pearson provides exhaustive coverage of crystal structure data for inorganic compounds obtained from neutron diffraction and X-ray diffractionMEDEA’S BUILDERS
MedeA’s Crystal Builder Part of the standard MedeA Environment. Use MedeA’s Crystal Builder to edit and modify periodic structures retrieved from MedeA’s experimental structure databases. While this is the most convenient way of constructing a periodic structure in MedeA, you can also build crystalline systems from scratch by selecting the desired space group and adding elements at HOME | MATERIALS DESIGN INCPRODUCTSSERVICESRESOURCESUGM 2020COMPANYPROPERTY MODULES MedeA is the leading environment for the atomistic simulation of materials. MedeA enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. In MedeA, world-class simulation engines are integrated with elaborate property predictionmodules
PRODUCTS | MATERIALS DESIGN INC All without changing how you work. MedeA supports chemical, metallurgical, electronic, polymeric, and materials science research applications. Materials Design, Inc. maintains close relationships with scientists in academic, government, and industrial settings. We understand the latest challenges and the newest computationaltechniques.
COMPANY | MATERIALS DESIGN INC Company. Materials Design, Inc. is the leading atomistic simulation software and services company for materials. We help customers across many diverse industries design new materials, predict their properties, and generate value through innovation. The company is dedicated to providing efficient access to the world's leadingatomistic and
ABOUT US | MATERIALS DESIGN INC About Us. Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services theyneed to
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2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc.MEDEA SOFTWARE
2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc. WIMMER2020 - MATERIALS DESIGN Hydrogen in Zirconium: Atomistic Simulations of Diffusion and Interaction with Defects using a New Embedded Atom Method Potential. 2020. Erich Wimmer, Mikael Christensen, Walter Wolf, W. H. Howland, B. Kammenzind, R. W. Smith. Journal of Nuclear Materials. A new interatomic embedded atom method (EAM) potential, called BMD19, hasbeen developed
MEDEA SOFTWARE RELEASE MEDEA 3.1 -- PRECISION AT SCALE MedeA is the leading environment for materials design, modeling, and simulation for the Windows and Linux software platforms, designed and engineered to provide access to high quality simulation methods. "MedeA 3.1 is a substantial new release of the MedeA Environment," said Dr. Marianna Yiannourakou of Materials Design.MY MATERIALS DESIGN
Recent Webinars Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof. This webinar will show how atomic-scale modeling with MedeA® is complementary to experimental spectroscopic techniques such as XPS, IR/Raman, NMR, and impedance measurements.UNGERER2015
Energy Fuels. 10.1021/ef502154k. Kerogen is defined as the fraction of sedimentary organic matter that is insoluble in good solvents like toluene. A large range of possible compositions can be found, depending on the origin of the organic matter (algae, bacteria, higher plants) , the conditions of preservation (anoxicity, pH) and thermalmaturity.
HOME | MATERIALS DESIGN INCPRODUCTSSERVICESRESOURCESUGM 2020COMPANYPROPERTY MODULES MedeA is the leading environment for the atomistic simulation of materials. MedeA enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. In MedeA, world-class simulation engines are integrated with elaborate property predictionmodules
PRODUCTS | MATERIALS DESIGN INC All without changing how you work. MedeA supports chemical, metallurgical, electronic, polymeric, and materials science research applications. Materials Design, Inc. maintains close relationships with scientists in academic, government, and industrial settings. We understand the latest challenges and the newest computationaltechniques.
COMPANY | MATERIALS DESIGN INC Company. Materials Design, Inc. is the leading atomistic simulation software and services company for materials. We help customers across many diverse industries design new materials, predict their properties, and generate value through innovation. The company is dedicated to providing efficient access to the world's leadingatomistic and
ABOUT US | MATERIALS DESIGN INC About Us. Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services theyneed to
- DATABASES
2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc.MEDEA SOFTWARE
2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc. WIMMER2020 - MATERIALS DESIGN Hydrogen in Zirconium: Atomistic Simulations of Diffusion and Interaction with Defects using a New Embedded Atom Method Potential. 2020. Erich Wimmer, Mikael Christensen, Walter Wolf, W. H. Howland, B. Kammenzind, R. W. Smith. Journal of Nuclear Materials. A new interatomic embedded atom method (EAM) potential, called BMD19, hasbeen developed
MEDEA SOFTWARE RELEASE MEDEA 3.1 -- PRECISION AT SCALE MedeA is the leading environment for materials design, modeling, and simulation for the Windows and Linux software platforms, designed and engineered to provide access to high quality simulation methods. "MedeA 3.1 is a substantial new release of the MedeA Environment," said Dr. Marianna Yiannourakou of Materials Design.MY MATERIALS DESIGN
Recent Webinars Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof. This webinar will show how atomic-scale modeling with MedeA® is complementary to experimental spectroscopic techniques such as XPS, IR/Raman, NMR, and impedance measurements.UNGERER2015
Energy Fuels. 10.1021/ef502154k. Kerogen is defined as the fraction of sedimentary organic matter that is insoluble in good solvents like toluene. A large range of possible compositions can be found, depending on the origin of the organic matter (algae, bacteria, higher plants) , the conditions of preservation (anoxicity, pH) and thermalmaturity.
COMPANY | MATERIALS DESIGN INC Company. Materials Design, Inc. is the leading atomistic simulation software and services company for materials. We help customers across many diverse industries design new materials, predict their properties, and generate value through innovation. The company is dedicated to providing efficient access to the world's leadingatomistic and
ABOUT US | MATERIALS DESIGN INC About Us. Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services theyneed to
RESOURCES | MATERIALS DESIGN INC Resources. Work with scientists to answer questions and solve problems. Support is an integral component of our products. Materials Design support scientists collaborate with customers every day, assisting with questions, generating strategies, guiding technologyselections, and
SOFTWARE RELEASES
Software Releases. Materials Design offers our diverse clients the tools they need to stay at the top of their respective fields. MedeA is a leading atomistic simulation software package that brings together what you need in a user-friendly environment. Licensed MedeA users may download the most recent version of our software at anytime.
WEBINARS - HOME
Recorded Webinars. In addition to regularly hosting live webinars, our past webinars are recorded so that you may refer to them at any time. Learn from our engaging scientists, enhance your experience using Materials Design, Inc. software, and download our slides! Advancing Automotive Innovation with Materials Modeling. Watch recording. . WIMMER2020 - MATERIALS DESIGN Hydrogen in Zirconium: Atomistic Simulations of Diffusion and Interaction with Defects using a New Embedded Atom Method Potential. 2020. Erich Wimmer, Mikael Christensen, Walter Wolf, W. H. Howland, B. Kammenzind, R. W. Smith. Journal of Nuclear Materials. A new interatomic embedded atom method (EAM) potential, called BMD19, hasbeen developed
HOME | MATERIALS DESIGN UGM The Materials Design User Group Meeting represents an occasion to meet colleagues and developers online, present results, learn about developments in MedeA, and see the latest developments in computational materials science and engineering. We invite you to join the Materials Design User Group Meeting online this October. Open tocurrent
AB-INITIO SIMULATIONS OF MATERIALS USING VASP: DENSITY Request a product tour. 1-760-495-4924. Log inMEDEA FORCEFIELDS
Key Benefits of Forcefield: Leading forcefields from many areas, assembled and checked by experts. Automatic assignment of atom types and charges. Customizable forcefields. Parameter development available as a service from the experts at Materials Design. Safely 24. STRUCTURE AND BONDING OF BORON CARBIDE 24. Structure and Bonding of Boron Carbide. Despite belonging to the class of very hard materials and thus offering a high potential for applications, detailed knowledge of the structure of boron carbide is limited due to the very similar neutron and x-ray scattering cross sections of the constituent atoms and the complexity of the crystalstructure.
HOME | MATERIALS DESIGN INCPRODUCTSSERVICESRESOURCESUGM 2020COMPANYPROPERTY MODULES MedeA is the leading environment for the atomistic simulation of materials. MedeA enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. In MedeA, world-class simulation engines are integrated with elaborate property predictionmodules
PRODUCTS | MATERIALS DESIGN INC All without changing how you work. MedeA supports chemical, metallurgical, electronic, polymeric, and materials science research applications. Materials Design, Inc. maintains close relationships with scientists in academic, government, and industrial settings. We understand the latest challenges and the newest computationaltechniques.
COMPANY | MATERIALS DESIGN INC Company. Materials Design, Inc. is the leading atomistic simulation software and services company for materials. We help customers across many diverse industries design new materials, predict their properties, and generate value through innovation. The company is dedicated to providing efficient access to the world's leadingatomistic and
ABOUT US | MATERIALS DESIGN INC About Us. Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services theyneed to
- DATABASES
2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc.MEDEA SOFTWARE
2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc. WIMMER2020 - MATERIALS DESIGN Hydrogen in Zirconium: Atomistic Simulations of Diffusion and Interaction with Defects using a New Embedded Atom Method Potential. 2020. Erich Wimmer, Mikael Christensen, Walter Wolf, W. H. Howland, B. Kammenzind, R. W. Smith. Journal of Nuclear Materials. A new interatomic embedded atom method (EAM) potential, called BMD19, hasbeen developed
MEDEA SOFTWARE RELEASE MEDEA 3.1 -- PRECISION AT SCALE MedeA is the leading environment for materials design, modeling, and simulation for the Windows and Linux software platforms, designed and engineered to provide access to high quality simulation methods. "MedeA 3.1 is a substantial new release of the MedeA Environment," said Dr. Marianna Yiannourakou of Materials Design.MY MATERIALS DESIGN
Recent Webinars Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof. This webinar will show how atomic-scale modeling with MedeA® is complementary to experimental spectroscopic techniques such as XPS, IR/Raman, NMR, and impedance measurements.UNGERER2015
Energy Fuels. 10.1021/ef502154k. Kerogen is defined as the fraction of sedimentary organic matter that is insoluble in good solvents like toluene. A large range of possible compositions can be found, depending on the origin of the organic matter (algae, bacteria, higher plants) , the conditions of preservation (anoxicity, pH) and thermalmaturity.
HOME | MATERIALS DESIGN INCPRODUCTSSERVICESRESOURCESUGM 2020COMPANYPROPERTY MODULES MedeA is the leading environment for the atomistic simulation of materials. MedeA enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. In MedeA, world-class simulation engines are integrated with elaborate property predictionmodules
PRODUCTS | MATERIALS DESIGN INC All without changing how you work. MedeA supports chemical, metallurgical, electronic, polymeric, and materials science research applications. Materials Design, Inc. maintains close relationships with scientists in academic, government, and industrial settings. We understand the latest challenges and the newest computationaltechniques.
COMPANY | MATERIALS DESIGN INC Company. Materials Design, Inc. is the leading atomistic simulation software and services company for materials. We help customers across many diverse industries design new materials, predict their properties, and generate value through innovation. The company is dedicated to providing efficient access to the world's leadingatomistic and
ABOUT US | MATERIALS DESIGN INC About Us. Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services theyneed to
- DATABASES
2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc.MEDEA SOFTWARE
2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc. WIMMER2020 - MATERIALS DESIGN Hydrogen in Zirconium: Atomistic Simulations of Diffusion and Interaction with Defects using a New Embedded Atom Method Potential. 2020. Erich Wimmer, Mikael Christensen, Walter Wolf, W. H. Howland, B. Kammenzind, R. W. Smith. Journal of Nuclear Materials. A new interatomic embedded atom method (EAM) potential, called BMD19, hasbeen developed
MEDEA SOFTWARE RELEASE MEDEA 3.1 -- PRECISION AT SCALE MedeA is the leading environment for materials design, modeling, and simulation for the Windows and Linux software platforms, designed and engineered to provide access to high quality simulation methods. "MedeA 3.1 is a substantial new release of the MedeA Environment," said Dr. Marianna Yiannourakou of Materials Design.MY MATERIALS DESIGN
Recent Webinars Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof. This webinar will show how atomic-scale modeling with MedeA® is complementary to experimental spectroscopic techniques such as XPS, IR/Raman, NMR, and impedance measurements.UNGERER2015
Energy Fuels. 10.1021/ef502154k. Kerogen is defined as the fraction of sedimentary organic matter that is insoluble in good solvents like toluene. A large range of possible compositions can be found, depending on the origin of the organic matter (algae, bacteria, higher plants) , the conditions of preservation (anoxicity, pH) and thermalmaturity.
COMPANY | MATERIALS DESIGN INC Company. Materials Design, Inc. is the leading atomistic simulation software and services company for materials. We help customers across many diverse industries design new materials, predict their properties, and generate value through innovation. The company is dedicated to providing efficient access to the world's leadingatomistic and
ABOUT US | MATERIALS DESIGN INC About Us. Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services theyneed to
RESOURCES | MATERIALS DESIGN INC Resources. Work with scientists to answer questions and solve problems. Support is an integral component of our products. Materials Design support scientists collaborate with customers every day, assisting with questions, generating strategies, guiding technologyselections, and
SOFTWARE RELEASES
Software Releases. Materials Design offers our diverse clients the tools they need to stay at the top of their respective fields. MedeA is a leading atomistic simulation software package that brings together what you need in a user-friendly environment. Licensed MedeA users may download the most recent version of our software at anytime.
WEBINARS - HOME
Recorded Webinars. In addition to regularly hosting live webinars, our past webinars are recorded so that you may refer to them at any time. Learn from our engaging scientists, enhance your experience using Materials Design, Inc. software, and download our slides! Advancing Automotive Innovation with Materials Modeling. Watch recording. . WIMMER2020 - MATERIALS DESIGN Hydrogen in Zirconium: Atomistic Simulations of Diffusion and Interaction with Defects using a New Embedded Atom Method Potential. 2020. Erich Wimmer, Mikael Christensen, Walter Wolf, W. H. Howland, B. Kammenzind, R. W. Smith. Journal of Nuclear Materials. A new interatomic embedded atom method (EAM) potential, called BMD19, hasbeen developed
HOME | MATERIALS DESIGN UGM The Materials Design User Group Meeting represents an occasion to meet colleagues and developers online, present results, learn about developments in MedeA, and see the latest developments in computational materials science and engineering. We invite you to join the Materials Design User Group Meeting online this October. Open tocurrent
AB-INITIO SIMULATIONS OF MATERIALS USING VASP: DENSITY Request a product tour. 1-760-495-4924. Log inMEDEA FORCEFIELDS
Key Benefits of Forcefield: Leading forcefields from many areas, assembled and checked by experts. Automatic assignment of atom types and charges. Customizable forcefields. Parameter development available as a service from the experts at Materials Design. Safely 24. STRUCTURE AND BONDING OF BORON CARBIDE 24. Structure and Bonding of Boron Carbide. Despite belonging to the class of very hard materials and thus offering a high potential for applications, detailed knowledge of the structure of boron carbide is limited due to the very similar neutron and x-ray scattering cross sections of the constituent atoms and the complexity of the crystalstructure.
HOME | MATERIALS DESIGN INCPRODUCTSSERVICESRESOURCESUGM 2020COMPANYPROPERTY MODULES MedeA is the leading environment for the atomistic simulation of materials. MedeA enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. In MedeA, world-class simulation engines are integrated with elaborate property predictionmodules
PRODUCTS | MATERIALS DESIGN INC All without changing how you work. MedeA supports chemical, metallurgical, electronic, polymeric, and materials science research applications. Materials Design, Inc. maintains close relationships with scientists in academic, government, and industrial settings. We understand the latest challenges and the newest computationaltechniques.
COMPANY | MATERIALS DESIGN INC Company. Materials Design, Inc. is the leading atomistic simulation software and services company for materials. We help customers across many diverse industries design new materials, predict their properties, and generate value through innovation. The company is dedicated to providing efficient access to the world's leadingatomistic and
ABOUT US | MATERIALS DESIGN INC About Us. Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services theyneed to
- DATABASES
2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc.MEDEA SOFTWARE
2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc. WIMMER2020 - MATERIALS DESIGN Hydrogen in Zirconium: Atomistic Simulations of Diffusion and Interaction with Defects using a New Embedded Atom Method Potential. 2020. Erich Wimmer, Mikael Christensen, Walter Wolf, W. H. Howland, B. Kammenzind, R. W. Smith. Journal of Nuclear Materials. A new interatomic embedded atom method (EAM) potential, called BMD19, hasbeen developed
MEDEA SOFTWARE RELEASE MEDEA 3.1 -- PRECISION AT SCALE MedeA is the leading environment for materials design, modeling, and simulation for the Windows and Linux software platforms, designed and engineered to provide access to high quality simulation methods. "MedeA 3.1 is a substantial new release of the MedeA Environment," said Dr. Marianna Yiannourakou of Materials Design.MY MATERIALS DESIGN
Recent Webinars Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof. This webinar will show how atomic-scale modeling with MedeA® is complementary to experimental spectroscopic techniques such as XPS, IR/Raman, NMR, and impedance measurements.UNGERER2015
Energy Fuels. 10.1021/ef502154k. Kerogen is defined as the fraction of sedimentary organic matter that is insoluble in good solvents like toluene. A large range of possible compositions can be found, depending on the origin of the organic matter (algae, bacteria, higher plants) , the conditions of preservation (anoxicity, pH) and thermalmaturity.
HOME | MATERIALS DESIGN INCPRODUCTSSERVICESRESOURCESUGM 2020COMPANYPROPERTY MODULES MedeA is the leading environment for the atomistic simulation of materials. MedeA enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. In MedeA, world-class simulation engines are integrated with elaborate property predictionmodules
PRODUCTS | MATERIALS DESIGN INC All without changing how you work. MedeA supports chemical, metallurgical, electronic, polymeric, and materials science research applications. Materials Design, Inc. maintains close relationships with scientists in academic, government, and industrial settings. We understand the latest challenges and the newest computationaltechniques.
COMPANY | MATERIALS DESIGN INC Company. Materials Design, Inc. is the leading atomistic simulation software and services company for materials. We help customers across many diverse industries design new materials, predict their properties, and generate value through innovation. The company is dedicated to providing efficient access to the world's leadingatomistic and
ABOUT US | MATERIALS DESIGN INC About Us. Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services theyneed to
- DATABASES
2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc.MEDEA SOFTWARE
2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc. WIMMER2020 - MATERIALS DESIGN Hydrogen in Zirconium: Atomistic Simulations of Diffusion and Interaction with Defects using a New Embedded Atom Method Potential. 2020. Erich Wimmer, Mikael Christensen, Walter Wolf, W. H. Howland, B. Kammenzind, R. W. Smith. Journal of Nuclear Materials. A new interatomic embedded atom method (EAM) potential, called BMD19, hasbeen developed
MEDEA SOFTWARE RELEASE MEDEA 3.1 -- PRECISION AT SCALE MedeA is the leading environment for materials design, modeling, and simulation for the Windows and Linux software platforms, designed and engineered to provide access to high quality simulation methods. "MedeA 3.1 is a substantial new release of the MedeA Environment," said Dr. Marianna Yiannourakou of Materials Design.MY MATERIALS DESIGN
Recent Webinars Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof. This webinar will show how atomic-scale modeling with MedeA® is complementary to experimental spectroscopic techniques such as XPS, IR/Raman, NMR, and impedance measurements.UNGERER2015
Energy Fuels. 10.1021/ef502154k. Kerogen is defined as the fraction of sedimentary organic matter that is insoluble in good solvents like toluene. A large range of possible compositions can be found, depending on the origin of the organic matter (algae, bacteria, higher plants) , the conditions of preservation (anoxicity, pH) and thermalmaturity.
COMPANY | MATERIALS DESIGN INC Company. Materials Design, Inc. is the leading atomistic simulation software and services company for materials. We help customers across many diverse industries design new materials, predict their properties, and generate value through innovation. The company is dedicated to providing efficient access to the world's leadingatomistic and
ABOUT US | MATERIALS DESIGN INC About Us. Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services theyneed to
RESOURCES | MATERIALS DESIGN INC Resources. Work with scientists to answer questions and solve problems. Support is an integral component of our products. Materials Design support scientists collaborate with customers every day, assisting with questions, generating strategies, guiding technologyselections, and
SOFTWARE RELEASES
Software Releases. Materials Design offers our diverse clients the tools they need to stay at the top of their respective fields. MedeA is a leading atomistic simulation software package that brings together what you need in a user-friendly environment. Licensed MedeA users may download the most recent version of our software at anytime.
WEBINARS - HOME
Recorded Webinars. In addition to regularly hosting live webinars, our past webinars are recorded so that you may refer to them at any time. Learn from our engaging scientists, enhance your experience using Materials Design, Inc. software, and download our slides! Advancing Automotive Innovation with Materials Modeling. Watch recording. . WIMMER2020 - MATERIALS DESIGN Hydrogen in Zirconium: Atomistic Simulations of Diffusion and Interaction with Defects using a New Embedded Atom Method Potential. 2020. Erich Wimmer, Mikael Christensen, Walter Wolf, W. H. Howland, B. Kammenzind, R. W. Smith. Journal of Nuclear Materials. A new interatomic embedded atom method (EAM) potential, called BMD19, hasbeen developed
HOME | MATERIALS DESIGN UGM The Materials Design User Group Meeting represents an occasion to meet colleagues and developers online, present results, learn about developments in MedeA, and see the latest developments in computational materials science and engineering. We invite you to join the Materials Design User Group Meeting online this October. Open tocurrent
AB-INITIO SIMULATIONS OF MATERIALS USING VASP: DENSITY Request a product tour. 1-760-495-4924. Log inMEDEA FORCEFIELDS
Key Benefits of Forcefield: Leading forcefields from many areas, assembled and checked by experts. Automatic assignment of atom types and charges. Customizable forcefields. Parameter development available as a service from the experts at Materials Design. Safely 24. STRUCTURE AND BONDING OF BORON CARBIDE 24. Structure and Bonding of Boron Carbide. Despite belonging to the class of very hard materials and thus offering a high potential for applications, detailed knowledge of the structure of boron carbide is limited due to the very similar neutron and x-ray scattering cross sections of the constituent atoms and the complexity of the crystalstructure.
HOME | MATERIALS DESIGN INCPRODUCTSSERVICESRESOURCESUGM 2020COMPANYPROPERTY MODULES MedeA is the leading environment for the atomistic simulation of materials. MedeA enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. In MedeA, world-class simulation engines are integrated with elaborate property predictionmodules
PRODUCTS | MATERIALS DESIGN INC All without changing how you work. MedeA supports chemical, metallurgical, electronic, polymeric, and materials science research applications. Materials Design, Inc. maintains close relationships with scientists in academic, government, and industrial settings. We understand the latest challenges and the newest computationaltechniques.
ABOUT US | MATERIALS DESIGN INC About Us. Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services theyneed to
VASP6 - MATERIALS DESIGN MedeA VASP 6 enables the efficient computation of the following properties: Total electronic energy of any 3D periodic arrangement of atoms. Forces on atoms, pressure, and stress tensors. Collinear and non-collinear magnetic moments. Equilibrium lattice parameters and atomic positions as obtained from energy, force, and stressminimization.
WIMMER2020 - MATERIALS DESIGN Hydrogen in Zirconium: Atomistic Simulations of Diffusion and Interaction with Defects using a New Embedded Atom Method Potential. 2020. Erich Wimmer, Mikael Christensen, Walter Wolf, W. H. Howland, B. Kammenzind, R. W. Smith. Journal of Nuclear Materials. A new interatomic embedded atom method (EAM) potential, called BMD19, hasbeen developed
MEDEA SOFTWARE RELEASE MEDEA 3.1 -- PRECISION AT SCALE MedeA is the leading environment for materials design, modeling, and simulation for the Windows and Linux software platforms, designed and engineered to provide access to high quality simulation methods. "MedeA 3.1 is a substantial new release of the MedeA Environment," said Dr. Marianna Yiannourakou of Materials Design.UNGERER2015
Energy Fuels. 10.1021/ef502154k. Kerogen is defined as the fraction of sedimentary organic matter that is insoluble in good solvents like toluene. A large range of possible compositions can be found, depending on the origin of the organic matter (algae, bacteria, higher plants) , the conditions of preservation (anoxicity, pH) and thermalmaturity.
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Key Benefits of Forcefield: Leading forcefields from many areas, assembled and checked by experts. Automatic assignment of atom types and charges. Customizable forcefields. Parameter development available as a service from the experts at Materials Design. SafelyMEDEA DATABASES
MedeA Pearson. MedeA Pearson encompasses more than 300,000 structure records of more than 95,000 different phases and is the world’s largest critically-evaluated, ‘non-organic database’. With a particular focus on alloys and intermetallics, MedeA Pearson provides exhaustive coverage of crystal structure data for inorganic compounds obtained from neutron diffraction and X-ray diffraction PREDICTION OF SCHOTTKY BARRIER IN ELECTRONIC DEVICES TE APPLICATION NOTE Prediction of Schottky Barrier in Electronic Devices The Schottky barrier determines the contact resis-tance between metals and semiconductors. HOME | MATERIALS DESIGN INCPRODUCTSSERVICESRESOURCESUGM 2020COMPANYPROPERTY MODULES MedeA is the leading environment for the atomistic simulation of materials. MedeA enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. In MedeA, world-class simulation engines are integrated with elaborate property predictionmodules
PRODUCTS | MATERIALS DESIGN INC All without changing how you work. MedeA supports chemical, metallurgical, electronic, polymeric, and materials science research applications. Materials Design, Inc. maintains close relationships with scientists in academic, government, and industrial settings. We understand the latest challenges and the newest computationaltechniques.
ABOUT US | MATERIALS DESIGN INC About Us. Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services theyneed to
VASP6 - MATERIALS DESIGN MedeA VASP 6 enables the efficient computation of the following properties: Total electronic energy of any 3D periodic arrangement of atoms. Forces on atoms, pressure, and stress tensors. Collinear and non-collinear magnetic moments. Equilibrium lattice parameters and atomic positions as obtained from energy, force, and stressminimization.
WIMMER2020 - MATERIALS DESIGN Hydrogen in Zirconium: Atomistic Simulations of Diffusion and Interaction with Defects using a New Embedded Atom Method Potential. 2020. Erich Wimmer, Mikael Christensen, Walter Wolf, W. H. Howland, B. Kammenzind, R. W. Smith. Journal of Nuclear Materials. A new interatomic embedded atom method (EAM) potential, called BMD19, hasbeen developed
MEDEA SOFTWARE RELEASE MEDEA 3.1 -- PRECISION AT SCALE MedeA is the leading environment for materials design, modeling, and simulation for the Windows and Linux software platforms, designed and engineered to provide access to high quality simulation methods. "MedeA 3.1 is a substantial new release of the MedeA Environment," said Dr. Marianna Yiannourakou of Materials Design.UNGERER2015
Energy Fuels. 10.1021/ef502154k. Kerogen is defined as the fraction of sedimentary organic matter that is insoluble in good solvents like toluene. A large range of possible compositions can be found, depending on the origin of the organic matter (algae, bacteria, higher plants) , the conditions of preservation (anoxicity, pH) and thermalmaturity.
MEDEA FORCEFIELDS
Key Benefits of Forcefield: Leading forcefields from many areas, assembled and checked by experts. Automatic assignment of atom types and charges. Customizable forcefields. Parameter development available as a service from the experts at Materials Design. SafelyMEDEA DATABASES
MedeA Pearson. MedeA Pearson encompasses more than 300,000 structure records of more than 95,000 different phases and is the world’s largest critically-evaluated, ‘non-organic database’. With a particular focus on alloys and intermetallics, MedeA Pearson provides exhaustive coverage of crystal structure data for inorganic compounds obtained from neutron diffraction and X-ray diffraction PREDICTION OF SCHOTTKY BARRIER IN ELECTRONIC DEVICES TE APPLICATION NOTE Prediction of Schottky Barrier in Electronic Devices The Schottky barrier determines the contact resis-tance between metals and semiconductors. HOME | MATERIALS DESIGN INC MedeA is the leading environment for the atomistic simulation of materials. MedeA enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. In MedeA, world-class simulation engines are integrated with elaborate property predictionmodules
PRODUCTS | MATERIALS DESIGN INC The MedeA Environment modeling suite enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. The MedeA Environment offers world-class simulation engines integrated with elaborated property prediction modules, experimental databases, structure builders and analysis tools, all together in ABOUT US | MATERIALS DESIGN INC About Us. Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services theyneed to
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2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc. ALL APPLICATION NOTES 2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc.MY MATERIALS DESIGN
Recent Webinars Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof. This webinar will show how atomic-scale modeling with MedeA® is complementary to experimental spectroscopic techniques such as XPS, IR/Raman, NMR, and impedance measurements. HOME | MATERIALS DESIGN UGM The Materials Design User Group Meeting represents an occasion to meet colleagues and developers online, present results, learn about developments in MedeA, and see the latest developments in computational materials science and engineering. We invite you to join the Materials Design User Group Meeting online this October. Open tocurrent
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MedeA Crystal Builder Part of the standard MedeA Environment. Use MedeA’s Crystal Builder to edit and modify periodic structures retrieved from MedeA’s experimental structure databases. While this is the most convenient way of constructing a periodic structure in MedeA, you can also build crystalline systems from scratch by selecting the desired space group and adding elements at WyckhoffMEDEA DATABASES
MedeA Pearson. MedeA Pearson encompasses more than 300,000 structure records of more than 95,000 different phases and is the world’s largest critically-evaluated, ‘non-organic database’. With a particular focus on alloys and intermetallics, MedeA Pearson provides exhaustive coverage of crystal structure data for inorganic compounds obtained from neutron diffraction and X-ray diffraction 6. PROPERTIES OF NATURAL GASES IN CLASSICAL AND IN HP-HT 6. Properties of natural gases in classical and in HP-HT conditions. In this note, we illustrate the predictive power of MedeA ® in describing the influence of pressure, temperature and composition on natural gas behavior, up to the conditions of HP-HT gases.. Keywords: natural gas, HP-HT conditions, ideal heat capacity, Joule Thomson coefficient, compressibility, speed of sound HOME | MATERIALS DESIGN INCPRODUCTSSERVICESRESOURCESUGM 2020COMPANYPROPERTY MODULES MedeA is the leading environment for the atomistic simulation of materials. MedeA enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. In MedeA, world-class simulation engines are integrated with elaborate property predictionmodules
PRODUCTS | MATERIALS DESIGN INC All without changing how you work. MedeA supports chemical, metallurgical, electronic, polymeric, and materials science research applications. Materials Design, Inc. maintains close relationships with scientists in academic, government, and industrial settings. We understand the latest challenges and the newest computationaltechniques.
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2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc. ABOUT US | MATERIALS DESIGN INC About Us. Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services theyneed to
MEDEA SOFTWARE RELEASE MEDEA 3.1 -- PRECISION AT SCALE MedeA is the leading environment for materials design, modeling, and simulation for the Windows and Linux software platforms, designed and engineered to provide access to high quality simulation methods. "MedeA 3.1 is a substantial new release of the MedeA Environment," said Dr. Marianna Yiannourakou of Materials Design.UNGERER2015
Energy Fuels. 10.1021/ef502154k. Kerogen is defined as the fraction of sedimentary organic matter that is insoluble in good solvents like toluene. A large range of possible compositions can be found, depending on the origin of the organic matter (algae, bacteria, higher plants) , the conditions of preservation (anoxicity, pH) and thermalmaturity.
MEDEA FORCEFIELDS
Key Benefits of Forcefield: Leading forcefields from many areas, assembled and checked by experts. Automatic assignment of atom types and charges. Customizable forcefields. Parameter development available as a service from the experts at Materials Design. Safely MEDEA MT: EXAMINE MATERIALS MECHANICAL STABILITY MedeA. ®. MT: Examine Materials Mechanical Stability. Materials Design ® builds bridges that connect problems to solutions. Our MedeA® MT module efficiently calculates mechanical and thermodynamic properties of both crystalline and polycrystalline materials. 24. STRUCTURE AND BONDING OF BORON CARBIDE 24. Structure and Bonding of Boron Carbide. Despite belonging to the class of very hard materials and thus offering a high potential for applications, detailed knowledge of the structure of boron carbide is limited due to the very similar neutron and x-ray scattering cross sections of the constituent atoms and the complexity of the crystalstructure.
PREDICTION OF SCHOTTKY BARRIER IN ELECTRONIC DEVICES TE APPLICATION NOTE Prediction of Schottky Barrier in Electronic Devices The Schottky barrier determines the contact resis-tance between metals and semiconductors. HOME | MATERIALS DESIGN INCPRODUCTSSERVICESRESOURCESUGM 2020COMPANYPROPERTY MODULES MedeA is the leading environment for the atomistic simulation of materials. MedeA enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. In MedeA, world-class simulation engines are integrated with elaborate property predictionmodules
PRODUCTS | MATERIALS DESIGN INC All without changing how you work. MedeA supports chemical, metallurgical, electronic, polymeric, and materials science research applications. Materials Design, Inc. maintains close relationships with scientists in academic, government, and industrial settings. We understand the latest challenges and the newest computationaltechniques.
- DATABASES
2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc. ABOUT US | MATERIALS DESIGN INC About Us. Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services theyneed to
MEDEA SOFTWARE RELEASE MEDEA 3.1 -- PRECISION AT SCALE MedeA is the leading environment for materials design, modeling, and simulation for the Windows and Linux software platforms, designed and engineered to provide access to high quality simulation methods. "MedeA 3.1 is a substantial new release of the MedeA Environment," said Dr. Marianna Yiannourakou of Materials Design.UNGERER2015
Energy Fuels. 10.1021/ef502154k. Kerogen is defined as the fraction of sedimentary organic matter that is insoluble in good solvents like toluene. A large range of possible compositions can be found, depending on the origin of the organic matter (algae, bacteria, higher plants) , the conditions of preservation (anoxicity, pH) and thermalmaturity.
MEDEA FORCEFIELDS
Key Benefits of Forcefield: Leading forcefields from many areas, assembled and checked by experts. Automatic assignment of atom types and charges. Customizable forcefields. Parameter development available as a service from the experts at Materials Design. Safely MEDEA MT: EXAMINE MATERIALS MECHANICAL STABILITY MedeA. ®. MT: Examine Materials Mechanical Stability. Materials Design ® builds bridges that connect problems to solutions. Our MedeA® MT module efficiently calculates mechanical and thermodynamic properties of both crystalline and polycrystalline materials. 24. STRUCTURE AND BONDING OF BORON CARBIDE 24. Structure and Bonding of Boron Carbide. Despite belonging to the class of very hard materials and thus offering a high potential for applications, detailed knowledge of the structure of boron carbide is limited due to the very similar neutron and x-ray scattering cross sections of the constituent atoms and the complexity of the crystalstructure.
PREDICTION OF SCHOTTKY BARRIER IN ELECTRONIC DEVICES TE APPLICATION NOTE Prediction of Schottky Barrier in Electronic Devices The Schottky barrier determines the contact resis-tance between metals and semiconductors. PRODUCTS | MATERIALS DESIGN INC The MedeA Environment modeling suite enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. The MedeA Environment offers world-class simulation engines integrated with elaborated property prediction modules, experimental databases, structure builders and analysis tools, all together in ABOUT US | MATERIALS DESIGN INC About Us. Materials Design , Inc. is a company full of leading scientists committed to helping customers located all over the world. The members of our team pair technical expertise, business insights, and years of experience to provide customers with the services theyneed to
ALL APPLICATION NOTES 2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc.MEDEA SOFTWARE
2021 by Materials Design, Inc. Privacy Policy Materials Design® and MedeA® are registered trademarks of Materials Design, Inc.WEBINARS - HOME
Recorded Webinars. In addition to regularly hosting live webinars, our past webinars are recorded so that you may refer to them at any time. Learn from our engaging scientists, enhance your experience using Materials Design, Inc. software, and download our slides! Advancing Automotive Innovation with Materials Modeling. Watch recording. . WIMMER2020 - MATERIALS DESIGN Hydrogen in Zirconium: Atomistic Simulations of Diffusion and Interaction with Defects using a New Embedded Atom Method Potential. 2020. Erich Wimmer, Mikael Christensen, Walter Wolf, W. H. Howland, B. Kammenzind, R. W. Smith. Journal of Nuclear Materials. A new interatomic embedded atom method (EAM) potential, called BMD19, hasbeen developed
MY MATERIALS DESIGN
Recent Webinars Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof. This webinar will show how atomic-scale modeling with MedeA® is complementary to experimental spectroscopic techniques such as XPS, IR/Raman, NMR, and impedance measurements. PRODUCTS — MD INTERNAL REPOSITORY 0.1 DOCUMENTATION Materials Design Application Notes; Application Notes for Fluids; Application Notes for Metals and Metal oxides; All Application Notesfor Catalysis
UNGERER2015
Energy Fuels. 10.1021/ef502154k. Kerogen is defined as the fraction of sedimentary organic matter that is insoluble in good solvents like toluene. A large range of possible compositions can be found, depending on the origin of the organic matter (algae, bacteria, higher plants) , the conditions of preservation (anoxicity, pH) and thermalmaturity.
9. DIFFUSION OF HYDROGEN IN NICKEL 9. Diffusion of Hydrogen in Nickel. Mass transport is of central importance in the processing, operation, and aging of many materials. However, despite the importance of diffusion, the experimental measurement of diffusion coefficients is complicated by thesuperposition of
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MedeA is the leading environment for the atomistic simulation of materials. MedeA enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. In MedeA, world-class simulation engines are integrated with elaborate property prediction modules, experimental databases, structure builders and analysis tools, all in one user-friendly environment.
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