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Materials Design Webinars

Materials Design regularly hosts webinars, presented by industry experts, allowing users to connect and interact with the materials science community.  Did you miss a webinar? No worries, all of our webinars are recorded and can be watched on demand.

Upcoming Webinars

Upcoming Webinars

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MedeA VASP Training
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Live webinars:

Tuesday, September 10, 2024
Start Time:  7 am PDT / 10 am EDT / 4 pm CEST

Presented by Dr. Rene Windiks and Dr. Shubham Pandey

Materials Design presents an interview with a pioneer in computational materials design: Prof. Gregory B. Olson
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Prof. Gregory B. Olson and Erich Wimmer

Materials Design presents an interview with a pioneer in computational materials design: Prof. Gregory B. Olson
From the Femtoscale to the Mesoscale and Back: An Integrated Multiscale Approach
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Presented by Dr. Leonid Kahle and Dr. Kyle Starkey

From the Femtoscale to the Mesoscale and Back: An Integrated Multiscale Approach
Sorption and Diffusion of Small Gas Molecules in Semicrystalline Models: A Molecular-Scale Investigation
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Presented by Dr. Boris Belin

Sorption and Diffusion of Small Gas Molecules in Semicrystalline Models: A Molecular-Scale Investigation
De Novo Polymer Design Breakthrough
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Presented by Dr. Jozef Bicerano and Dr. Clive Freeman

De Novo Polymer Design Breakthrough
The Past, Present, and Future of Forcefield Technologies
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Presented by Dr. Garrett Tow

The Past, Present, and Future of Forcefield Technologies
The Basis of Success. A Conversation with the President of Gaussian Inc., Dr. Mike Frisch
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On Demand

The Basis of Success. A Conversation with the President of Gaussian Inc., Dr. Mike Frisch
A Multi-scale Computational Framework for Property Prediction of Fluid Mixtures
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Presented by Dr. Marianna Yiannourakou

A Multi-scale Computational Framework for Property Prediction of Fluid Mixtures
MedeA Training: Multiscale Modeling of Polymers Using the MedeA Environment
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UGM 2022: Presented by Marianna Yiannourakou and Jörg-Rüdiger Hill

MedeA Training: Multiscale Modeling of Polymers Using the MedeA Environment
On-the-fly Machine Learning Forcefields with MedeA VASP
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UGM 2022: Presented by Shubham Pandey and Xiaoli Liu

On-the-fly Machine Learning Forcefields with MedeA VASP
Training: Generating and Applying Machine-Learned Potentials with MedeA
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UGM 2022: Presented by Dr. David Reith

Training: Generating and Applying Machine-Learned Potentials with MedeA
Medea Training: Simulations of Gas Separation Through Nanofiltration
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UGM 2022: Presented by René Windiks

Medea Training: Simulations of Gas Separation Through Nanofiltration
Radionuclide Sequestration in MOFs: DFT Method Exploration and a Conceptualization of Graph Neural Networks
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Presented by Shubham Pandey

Radionuclide Sequestration in MOFs: DFT Method Exploration and a Conceptualization of Graph Neural Networks
Lessons Learned Solving Industrial Problems
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Presented by Xavier Rozanska

Lessons Learned Solving Industrial Problems
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

Atomistic and Mesoscopic Modeling of Structure-Property Relations in Polymers
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

Atomistic-scale simulations of realistic, complex, reactive materials: the ReaxFF reactive force field and its industrial and academic applications
Ab Initio for Millions - the Power of Machine-learned Potentials
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Presented by Erich Wimmer, Volker Eyert, and David Reith

Ab Initio for Millions - the Power of Machine-learned Potentials
Medea Training: MedeA VASP and Battery Applications
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Presented by Dr. René Windiks

Medea Training: MedeA VASP and Battery Applications
UGM 2021 Interview with Professor Chris Van de Walle
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Presenters Chris Van de Walle and Erich Wimmer

UGM 2021 Interview with Professor Chris Van de Walle
Catalytic Processes for Sustainable Chemicals and Fuels
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Professor Sir Richard Catlow

Catalytic Processes for Sustainable Chemicals and Fuels
The Innovative Force of High-Performance Computing in Materials Science
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Presented by Erich Wimmer, Evan Weinberg, and Stefan Maintz

The Innovative Force of High-Performance Computing in Materials Science
Advancing Automotive Innovation with Materials Modeling
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Industry Speaker: Dr. Jonathan Mueller, Volkswagen AG

Advancing Automotive Innovation with Materials Modeling
Development of New Solvents for CO2 Capture Using Molecular Simulations
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Speaker: Dr. Frederick de Meyer, Total S.E.

Development of New Solvents for CO2 Capture Using Molecular Simulations
Materials Constitution Data in MSI Eureka – Fundamentals for Efficient R&D
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Presented by Dr. Svitlana Iljenko and Dr. René Windiks

Materials Constitution Data in MSI Eureka – Fundamentals for Efficient R&D
Training: Orbital Level Understanding of Adsorbate-Surface Interactions in Catalysis
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Presented by Dr. Siwen Wang

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

Computational Pharmaceutical Science: Guiding Experiments in a Sea of Variables
The Random Phase Approximation: A Practical Method Beyond DFT
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Presented by Professor Georg Kresse

The Random Phase Approximation: A Practical Method Beyond DFT
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

From National Security to Energy Security: How Computational Chemistry is Defining Science at SRNL
Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof
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Presented by Dr. René Windiks

Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof
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

VASP.6: Total energies beyond DFT
Elasticity and Beyond: Predicting Mechanical Properties with MedeA
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Presented by Dr. Ray Shan

Elasticity and Beyond: Predicting Mechanical Properties with MedeA
VASP in MedeA: A Fast Way- From Models to Reliable Results
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Presented by Dr. Walter Wolf

VASP in MedeA: A Fast Way- From Models to Reliable Results
MedeA 3.0 Getting to Science Faster
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Presented by Marianna Yiannourakou, Clive Freeman, René Windiks, and Volker Eyert

MedeA 3.0 Getting to Science Faster
Thermodynamic Properties of Multifunctional Polycyclic Compounds from Simulation
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Presented by Dr. Philippe Ungerer

Thermodynamic Properties of Multifunctional Polycyclic Compounds from Simulation
The Color of Materials: Value from Computed Optical Properties
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Presented by Dr. Erich Wimmer and Dr. Volker Eyert

The Color of Materials: Value from Computed Optical Properties
Developing and Applying Correlative Models in Materials Science
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Presented by Dr. Clive Freeman and Dr. Marianna Yiannourakou

Developing and Applying Correlative Models in Materials Science
Predicting Petroleum Fraction Thermophysical Properties - Advances in Molecular Simulation
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Presented by Dr. Marianna Yiannourakou

Predicting Petroleum Fraction Thermophysical Properties - Advances in Molecular Simulation
Atomistic-Scale Simulations of Real, Messy, Nasty, and Complex Reactive Materials – The ReaxFF Reactive Force Field and Its Applications
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Presented by Professor Adri van Duin from Pennsylvania State University and Dr. Ray Shan from Materials Design

Atomistic-Scale Simulations of Real, Messy, Nasty, and Complex Reactive Materials – The ReaxFF Reactive Force Field and Its Applications
Advancing the Design of Materials for Batteries Through Atomic-Scale Modeling
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Presented by Dr. René Windiks

Advancing the Design of Materials for Batteries Through Atomic-Scale Modeling
Harness the Power of LAMMPS Molecular Dynamics Code with MedeA
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Presented by Dr. Ray Shan

Harness the Power of LAMMPS Molecular Dynamics Code with MedeA
Classical Forcefields for Modeling Materials on Atomic Scale
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Presented by Dr. Ray Shan

Classical Forcefields for Modeling Materials on Atomic Scale
High Throughput Simulations in the Materials Design MedeA Environment
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Presented by Dr. Clive Freeman

High Throughput Simulations in the Materials Design MedeA Environment
VASP In MedeA: A Fast Way from Models to Reliable Results with Dr. Walter Wolf
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Presented by Dr. Walter Wolf

VASP In MedeA: A Fast Way from Models to Reliable Results with Dr. Walter Wolf
Atomic-Scale Modeling With MedeA: A Path To Innovation In Batteries
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Presented by René Windiks

Atomic-Scale Modeling With MedeA: A Path To Innovation In Batteries
Computational Polymer Science: Atomistic Modeling Tools and Materials Applications
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Computational Polymer Science: Atomistic Modeling Tools and Materials Applications
Polyvalent Machine-Learned Potential for Cobalt: from Bulk to Nanoparticles
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Presented by Marthe Bideault

Polyvalent Machine-Learned Potential for Cobalt: from Bulk to Nanoparticles
Polyvalent Machine-Learned Potential for Cobalt: from Bulk to Nanoparticles
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Presented by Marthe Bideault

Polyvalent Machine-Learned Potential for Cobalt: from Bulk to Nanoparticles
Advancing Molecular-Scale Modeling: A Novel Approach for Semicrystalline Polymers
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Presented by Dr. Boris Belin

Advancing Molecular-Scale Modeling: A Novel Approach for Semicrystalline Polymers
A Study of VASP Simulations in Semiconductors: from Materials Engineering to Band Alignment
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Presented by Dr. Xiaoli Liu

A Study of VASP Simulations in Semiconductors: from Materials Engineering to Band Alignment
Machine-Learned Potentials: Surpassing the Limits of the ab initio World without leaving it behind
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Presented by Dr. Volker Eyert and Dr. Xiaoli Liu

Machine-Learned Potentials: Surpassing the Limits of the ab initio World without leaving it behind
A Foundation for the Atomistic Simulation of Solid Rocket Propellants
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Presented by Garrett Tow

A Foundation for the Atomistic Simulation of Solid Rocket Propellants
A Conversation with Bruce Eichinger
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Special Presentation

A Conversation with Bruce Eichinger
Interview with Dr. Jozef Bicerano, a world-expert in polymer modeling
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UGM 2022: Jozef Bicerano and Erich Wimmer

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

Δ-Machine Learning Beyond DFT: from Phase Transitions to Quantum Paraelectricity and CO Adsorption
Atomistic Simulations with High-Dimensional Neural Network Potentials
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UGM 2022: Presented by Professor Jörg Behler from the University of Göttingen

Atomistic Simulations with High-Dimensional Neural Network Potentials
Materials Innovations for Chemical Separations
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UGM 2022: Presented by Professor Jeffrey Grossman, Department Head of Materials Science and Engineering, MIT
 

Materials Innovations for Chemical Separations
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

VASP, Machine Learning, and Multi-Scale Physics: Defining the State of the Art in Materials Modeling
Molecular Modeling of Kerogen Structure, Thermodynamic and Transport Properties
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Presented by Dr. Marianna Yiannourakou

Molecular Modeling of Kerogen Structure, Thermodynamic and Transport Properties
The Open Catalyst Project
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Join Abhishek Das and Anuroop Sriram of Facebook AI Research (FAIR)

The Open Catalyst Project
Materials Constitution Data in MSI Eureka – Fundamentals for Efficient R&D
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Presented by Dr. Svitlana Iljenko, of MSI

Materials Constitution Data in MSI Eureka – Fundamentals for Efficient R&D
MedeA Training: MedeA Machine Learning Potential Generator (MLPG)
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Presented by Dr. David Reith

MedeA Training: MedeA Machine Learning Potential Generator (MLPG)
Post-DFT Accuracy for Finite Temperature Properties Using Incremental Machine Learning
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Presented by Professor Georg Kresse

Post-DFT Accuracy for Finite Temperature Properties Using Incremental Machine Learning
UGM 2021 Training 01 Classical Forcefield-based Methods
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Presented by Marianna Yiannourakou and Jörg-Rüdiger Hill

UGM 2021 Training 01 Classical Forcefield-based Methods
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

Molecular Simulations for Improved Process Modeling of an Acid Gas Removal Unit
Calculs à Haut Débit dans l’Environnement Logiciel MedeA
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Presented by Dr. Xavier Rozanska

Calculs à Haut Débit dans l’Environnement Logiciel MedeA
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

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

Training-Advanced Atomic Model Building Based on Comprehensive Databases
Machine Learning Meets Quantum Chemistry: Using Theory, Data, and Experiments to Design Catalysts
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Presented by Dr. Siwen Wang

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
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Presented by Dr. Taylor Juran

Training-Li-Ion Batteries and Beyond: Driving Next-Generation Energy Storage with MedeA
Molecular Simulation of Fluids: The SAFT Coarse Graining Technique
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Presented by Prof. Erich , Imperial College London

Molecular Simulation of Fluids: The SAFT Coarse Graining Technique
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

Modelling Catalyst Deactivation: Multiscale Modelling of Zeolite Catalysis
Interatomic Potentials - Why We Still Need Them and How Can We Improve Them
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Presented by Professor Richard Catlow FRS

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

MedeA 3.1-- Precision at Scale -The New Normal
Mesoscale Simulations
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Presented by Jörg-Rüdiger Hill

Mesoscale Simulations
Diffusion and You: Batteries, Catalysis, Alloys, Corrosion, and the Stock Market
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Presented by Dr. Erich Wimmer and Dr. Benoit Minisini

Diffusion and You: Batteries, Catalysis, Alloys, Corrosion, and the Stock Market
High Value from High Throughput
in the MedeA Environment Replay
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Presented by Dr. Clive Freeman

High Value from High Throughput in the MedeA Environment Replay
Modeling Hydrogen in Metals: Diffusion, Dislocations, Phase Transformations, and Embrittlement
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Presented by Dr. Erich Wimmer and Dr. Mikael Christensen

Modeling Hydrogen in Metals: Diffusion, Dislocations, Phase Transformations, and Embrittlement
Use of Polymer Theoretical Concepts in Atomistic Polymer Simulation Software
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Presented by Dr. David Rigby

Use of Polymer Theoretical Concepts in Atomistic Polymer Simulation Software
MedeA Deposition: Atomistic-Scale Simulations of Deposition, Growth, Oxidation, and Etching at your Fingertips
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Presented by Dr. Ray Shan

MedeA Deposition: Atomistic-Scale Simulations of Deposition, Growth, Oxidation, and Etching at your Fingertips
Computational Analysis of Organic Photovoltaics and Organic Radical Batteries
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Presented by Dr. Travis Kemper

Computational Analysis of Organic Photovoltaics and Organic Radical Batteries
Using MedeA to Study Formation and Properties of Polymer Networks
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Presented by Dr. David Rigby

Using MedeA to Study Formation and Properties of Polymer Networks
High Value from High Throughput in the MedeA Environment
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Presented by Erich Wimmer and Clive Freeman

High Value from High Throughput in the MedeA Environment
Predicting Elastic Properties Using Ab Initio And Forcefield Based Simulations
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Presented by Dr. David Rigby and Dr. Walter Wolf

Predicting Elastic Properties Using Ab Initio And Forcefield Based Simulations
An Introduction to the MedeA User Interface
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Presented by Clive Freeman, Ph.D.

An Introduction to the MedeA User Interface
MedeA 2.22: Unlock the Code
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Presented by Dr. Walter Wolf and Dr. Marianna Yiannourakou

MedeA 2.22: Unlock the Code
Fluid Properties from Molecular Simulation: Applications in Chemical Engineering and the Oil & Gas Industry
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Presented by Dr. Marianna Yiannourakou

Fluid Properties from Molecular Simulation: Applications in Chemical Engineering and the Oil & Gas Industry
From Band Structures to Electronic Materials with MedeA
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From Band Structures to Electronic Materials with MedeA
Classical (Forcefield) Methods for Chemistry and Catalysis
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Presented by Xavier Rozanska and Marianna Yiannourakou

Classical (Forcefield) Methods for Chemistry and Catalysis
Computational Metallurgy: Grain Boundaries, Diffusion, and Surface Reactivity
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Presented by Erich Wimmer

Computational Metallurgy: Grain Boundaries, Diffusion, and Surface Reactivity
MedeA UNCLE: Atomistic Studies of Crystalline Systems at Higher Scales
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MedeA UNCLE: Atomistic Studies of Crystalline Systems at Higher Scales

Recorded Webinars

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