Webinars

Past Webinars

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!

A Foundation for the Atomistic Simulation of Solid Rocket Propellants

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Presented by Garrett Tow

A Multi-scale Computational Framework for Property Prediction of Fluid Mixtures

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Presented by Dr. Marianna Yiannourakou

A Conversation with Bruce Eichinger

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Special Presentation

MedeA Training: Multiscale Modeling of Polymers Using the MedeA Environment

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UGM 2022: Presented by Marianna Yiannourakou and Jörg-Rüdiger Hill

Interview with Dr. Jozef Bicerano, a world-expert in polymer modeling

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UGM 2022: Jozef Bicerano and Erich Wimmer

On-the-fly Machine Learning Forcefields with MedeA VASP

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UGM 2022: Presented by Shubham Pandey and Xiaoli Liu

Δ-Machine Learning Beyond DFT: from Phase Transitions to Quantum Paraelectricity and CO Adsorption

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UGM 2022: Presented by Carla Verdi and Georg Kresse

Training: Generating and Applying Machine-Learned Potentials with MedeA

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UGM 2022: Presented by Dr. David Reith

Atomistic Simulations with High-Dimensional Neural Network Potentials

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UGM 2022: Presented by Professor Jörg Behler from the University of Göttingen

Medea Training: Simulations of Gas Separation Through Nanofiltration

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UGM 2022: Presented by René Windiks

Materials Innovations for Chemical Separations

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UGM 2022: Presented by Professor Jeffrey Grossman, Department Head of Materials Science and Engineering, MIT

Radionuclide Sequestration in MOFs: DFT Method Exploration and a Conceptualization of Graph Neural Networks

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Presented by Shubham Pandey

VASP, Machine Learning, and Multi-Scale Physics: Defining the State of the Art in Materials Modeling

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Presented by Dr. Martijn Marsman from the University of Vienna and Dr. Erich Wimmer from Materials Design

Lessons Learned Solving Industrial Problems

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Presented by Xavier Rozanska

Molecular Modeling of Kerogen Structure, Thermodynamic and Transport Properties

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Presented by Dr. Marianna Yiannourakou

Atomistic and Mesoscopic Modeling of Structure-Property Relations in Polymers

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Presented by Professor Doros Theodorou from the National Technical University of Athens

The Open Catalyst Project

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Join Abhishek Das and Anuroop Sriram of Facebook AI Research (FAIR)

Atomistic-scale simulations of realistic, complex, reactive materials: the ReaxFF reactive force field and its industrial and academic applications

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Presented by Professor Adri van Duin

Materials Constitution Data in MSI Eureka – Fundamentals for Efficient R&D

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Presented by Dr. Svitlana Iljenko, of MSI

Ab Initio for Millions - the Power of Machine-learned Potentials

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Presented by Erich Wimmer, Volker Eyert, and David Reith

MedeA Training: MedeA Machine Learning Potential Generator (MLPG)

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Presented by Dr. David Reith

Medea Training: MedeA VASP and Battery Applications

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Presented by Dr. René Windiks

Post-DFT Accuracy for Finite Temperature Properties Using Incremental Machine Learning

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Presented by Professor Georg Kresse

UGM 2021 Interview with Professor Chris Van de Walle

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Presenters Chris Van de Walle and Erich Wimmer

UGM 2021 Training 01 Classical Forcefield-based Methods

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Presented by Marianna Yiannourakou and Jörg-Rutiger Hill

Catalytic Processes for Sustainable Chemicals and Fuels

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Professor Sir Richard Catlow

Molecular Simulations for Improved Process Modeling of an Acid Gas Removal Unit

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Presented by Dr. Marianna Yiannourakou and Dr. Xavier Rozanska

The Innovative Force of High-Performance Computing in Materials Science

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Presented by Erich Wimmer, Evan Weinberg, and Stefan Maintz

Calculs à Haut Débit dans l’Environnement Logiciel MedeA

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Presented by Dr. Xavier Rozanska

Advancing Automotive Innovation with Materials Modeling

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Industry Speaker: Dr. Jonathan Mueller, Volkswagen AG

Training: MedeA VASP: Explore the comprehensible and user-friendly GUI in MedeA VASP

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Training with Q&A presented by Dr. David Reith

Development of New Solvents for CO2 Capture Using Molecular Simulations

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Speaker: Dr. Frederick de Meyer, Total S.E.

Training-Advanced Atomic Model Building Based on Comprehensive Databases

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Presented by Dr. Frédérick de Meyer, Total S.E. and Dr. Erich Wimmer, Materials Design, Inc.

Materials Constitution Data in MSI Eureka – Fundamentals for Efficient R&D

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Presented by Dr. Svitlana Iljenko and Dr. René Windiks

Training: Orbital Level Understanding of Adsorbate-Surface Interactions in Catalysis

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Presented by Dr. Siwen Wang

Machine Learning Meets Quantum Chemistry: Using Theory, Data, and Experiments to Design Catalysts

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Presented by Dr. Siwen Wang

Training-Li-Ion Batteries and Beyond: Driving Next-Generation Energy Storage with MedeA

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Presented by Dr. Taylor Juran

Li-Ion Batteries and Beyond: Driving Next-Generation Energy Storage with MedeA

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Presented by Dr. Taylor Juran

Molecular Simulation of Fluids: The SAFT Coarse Graining Technique

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Presented by Prof. Erich , Imperial College London

Computational Pharmaceutical Science: Guiding Experiments in a Sea of Variables

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Presented by Dr. Kevin Gagnon, Senior Scientist at Vertex Pharmaceuticals Inc.

Modelling Catalyst Deactivation: Multiscale Modelling of Zeolite Catalysis

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Presented by Professor Rutger A. van Santen, Full Professor Emeritus, Eindhoven University of Technology

The Random Phase Approximation: A Practical Method Beyond DFT

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Presented by Professor Georg Kresse

Interatomic Potentials - Why We Still Need Them and How Can We Improve Them

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Presented by Professor Richard Catlow FRS

From National Security to Energy Security: How Computational Chemistry is Defining Science at SRNL

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Presented by Dr. Lindsay Roy of Savannah River National Laboratory

MedeA 3.1-- Precision at Scale -The New Normal

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Presented by Dr. Marianna Yiannourakou, Dr. Jörg-Rüdiger Hill, and Dr. Walter Wolf

Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof

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Presented by Dr. René Windiks

Mesoscale Simulations

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Presented by Jörg-Rüdiger Hill

VASP.6: Total energies beyond DFT

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Presented by Dr. Martijn Marsman, senior scientist at the University of Vienna and VASP Software GmbH

Diffusion and You: Batteries, Catalysis, Alloys, Corrosion, and the Stock Market

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Presented by Dr. Erich Wimmer and Dr. Benoit Minisini

Elasticity and Beyond: Predicting Mechanical Properties with MedeA

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Presented by Dr. Ray Shan

High Value from High Throughput
in the MedeA Environment Replay

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Presented by Dr. Clive Freeman

VASP in MedeA: A Fast Way- From Models to Reliable Results

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Presented by Dr. Walter Wolf

Modeling Hydrogen in Metals: Diffusion, Dislocations, Phase Transformations, and Embrittlement

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Presented by Dr. Erich Wimmer and Dr. Mikael Christensen

MedeA 3.0 Getting to Science Faster

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Presented by Marianna Yiannourakou, Clive Freeman, René Windiks, and Volker Eyert

Use of Polymer Theoretical Concepts in Atomistic Polymer Simulation Software

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Presented by Dr. David Rigby

Thermodynamic Properties of Multifunctional Polycyclic Compounds from Simulation

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Presented by Dr. Philippe Ungerer

MedeA Deposition: Atomistic-Scale Simulations of Deposition, Growth, Oxidation, and Etching at your Fingertips

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Presented by Dr. Ray Shan

The Color of Materials: Value from Computed Optical Properties

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Presented by Dr. Erich Wimmer and Dr. Volker Eyert

Computational Analysis of Organic Photovoltaics and Organic Radical Batteries

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Presented by Dr. Travis Kemper

Developing and Applying Correlative Models in Materials Science

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Presented by Dr. Clive Freeman and Dr. Marianna Yiannourakou

Using MedeA to Study Formation and Properties of Polymer Networks

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Presented by Dr. David Rigby

Predicting Petroleum Fraction Thermophysical Properties - Advances in Molecular Simulation

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Presented by Dr. Marianna Yiannourakou

High Value from High Throughput in the MedeA Environment

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Presented by Erich Wimmer and Clive Freeman

Recorded Webinars

A Foundation for the Atomistic Simulation of Solid Rocket Propellants

A Multi-scale Computational Framework for Property Prediction of Fluid Mixtures

A Conversation with Bruce Eichinger

MedeA Training: Multiscale Modeling of Polymers Using the MedeA Environment

Interview with Dr. Jozef Bicerano, a world-expert in polymer modeling

On-the-fly Machine Learning Forcefields with MedeA VASP

Δ-Machine Learning Beyond DFT: from Phase Transitions to Quantum Paraelectricity and CO Adsorption

Training: Generating and Applying Machine-Learned Potentials with MedeA

Atomistic Simulations with High-Dimensional Neural Network Potentials

Medea Training: Simulations of Gas Separation Through Nanofiltration

Materials Innovations for Chemical Separations

Radionuclide Sequestration in MOFs: DFT Method Exploration and a Conceptualization of Graph Neural Networks

VASP, Machine Learning, and Multi-Scale Physics: Defining the State of the Art in Materials Modeling

Lessons Learned Solving Industrial Problems

Molecular Modeling of Kerogen Structure, Thermodynamic and Transport Properties

Atomistic and Mesoscopic Modeling of Structure-Property Relations in Polymers

The Open Catalyst Project

Atomistic-scale simulations of realistic, complex, reactive materials: the ReaxFF reactive force field and its industrial and academic applications

Materials Constitution Data in MSI Eureka – Fundamentals for Efficient R&D

Ab Initio for Millions - the Power of Machine-learned Potentials

MedeA Training: MedeA Machine Learning Potential Generator (MLPG)

Medea Training: MedeA VASP and Battery Applications

Post-DFT Accuracy for Finite Temperature Properties Using Incremental Machine Learning

UGM 2021 Interview with Professor Chris Van de Walle

UGM 2021 Training 01 Classical Forcefield-based Methods

Catalytic Processes for Sustainable Chemicals and Fuels

Molecular Simulations for Improved Process Modeling of an Acid Gas Removal Unit

The Innovative Force of High-Performance Computing in Materials Science

Calculs à Haut Débit dans l’Environnement Logiciel MedeA

Advancing Automotive Innovation with Materials Modeling

Training: MedeA VASP: Explore the comprehensible and user-friendly GUI in MedeA VASP

Development of New Solvents for CO2 Capture Using Molecular Simulations

Training-Advanced Atomic Model Building Based on Comprehensive Databases

Materials Constitution Data in MSI Eureka – Fundamentals for Efficient R&D

Training: Orbital Level Understanding of Adsorbate-Surface Interactions in Catalysis

Machine Learning Meets Quantum Chemistry: Using Theory, Data, and Experiments to Design Catalysts

Training-Li-Ion Batteries and Beyond: Driving Next-Generation Energy Storage with MedeA

Li-Ion Batteries and Beyond: Driving Next-Generation Energy Storage with MedeA

Molecular Simulation of Fluids: The SAFT Coarse Graining Technique

Computational Pharmaceutical Science: Guiding Experiments in a Sea of Variables

Modelling Catalyst Deactivation: Multiscale Modelling of Zeolite Catalysis

The Random Phase Approximation: A Practical Method Beyond DFT

Interatomic Potentials - Why We Still Need Them and How Can We Improve Them

From National Security to Energy Security: How Computational Chemistry is Defining Science at SRNL

MedeA 3.1-- Precision at Scale -The New Normal

Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof

Mesoscale Simulations

VASP.6: Total energies beyond DFT

Diffusion and You: Batteries, Catalysis, Alloys, Corrosion, and the Stock Market

Elasticity and Beyond: Predicting Mechanical Properties with MedeA

High Value from High Throughputin the MedeA Environment Replay

VASP in MedeA: A Fast Way- From Models to Reliable Results

Modeling Hydrogen in Metals: Diffusion, Dislocations, Phase Transformations, and Embrittlement

MedeA 3.0 Getting to Science Faster

Use of Polymer Theoretical Concepts in Atomistic Polymer Simulation Software

Thermodynamic Properties of Multifunctional Polycyclic Compounds from Simulation

MedeA Deposition: Atomistic-Scale Simulations of Deposition, Growth, Oxidation, and Etching at your Fingertips

The Color of Materials: Value from Computed Optical Properties

Computational Analysis of Organic Photovoltaics and Organic Radical Batteries

Developing and Applying Correlative Models in Materials Science

Using MedeA to Study Formation and Properties of Polymer Networks

Predicting Petroleum Fraction Thermophysical Properties - Advances in Molecular Simulation

High Value from High Throughput in the MedeA Environment

High Value from High Throughput
in the MedeA Environment Replay