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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

From the Femtoscale to the Mesoscale and Back: An Integrated Multiscale Approach

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

Presented by Dr. Boris Belin

Sorption and Diffusion of Small Gas Molecules in Semicrystalline Models: A Molecular-Scale Investigation
De Novo Polymer Design Breakthrough

Presented by Dr. Jozef Bicerano and Dr. Clive Freeman

De Novo Polymer Design Breakthrough
The Past, Present, and Future of Forcefield Technologies

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

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

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

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

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

UGM 2022: Presented by Dr. David Reith

Training: Generating and Applying Machine-Learned Potentials with MedeA
Medea Training: Simulations of Gas Separation Through Nanofiltration

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

Presented by Shubham Pandey

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

Presented by Xavier Rozanska

Lessons Learned Solving Industrial Problems
Atomistic and Mesoscopic Modeling of Structure-Property Relations in Polymers

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

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

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

Presented by Dr. René Windiks

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

Presenters Chris Van de Walle and Erich Wimmer

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

Professor Sir Richard Catlow

Catalytic Processes for Sustainable Chemicals and Fuels
The Innovative Force of High-Performance Computing in Materials Science

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

Industry Speaker: Dr. Jonathan Mueller, Volkswagen AG

Advancing Automotive Innovation with Materials Modeling
Development of New Solvents for CO2 Capture Using Molecular Simulations

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

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

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

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

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

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

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

Presented by Dr. René Windiks

Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof
VASP.6: Total energies beyond DFT

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

Presented by Dr. Ray Shan

Elasticity and Beyond: Predicting Mechanical Properties with MedeA
VASP in MedeA: A Fast Way- From Models to Reliable Results

Presented by Dr. Walter Wolf

VASP in MedeA:  A Fast Way- From Models to Reliable Results
MedeA 3.0 Getting to Science Faster

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

Presented by Dr. Philippe Ungerer

Thermodynamic Properties of Multifunctional Polycyclic Compounds from Simulation
The Color of Materials: Value from Computed Optical Properties

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

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

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

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

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

Presented by Dr. Ray Shan

Harness the Power of LAMMPS Molecular Dynamics Code with MedeA
Classical Forcefields for Modeling Materials on Atomic Scale

Presented by Dr. Ray Shan

Classical Forcefields for Modeling Materials on Atomic Scale
High Throughput Simulations in the Materials Design MedeA Environment

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

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

Presented by René Windiks

Atomic-Scale Modeling With MedeA: A Path To Innovation In Batteries
Computational Polymer Science: Atomistic Modeling Tools and Materials Applications

Computational Polymer Science: Atomistic Modeling Tools and Materials Applications
Polyvalent Machine-Learned Potential for Cobalt: from Bulk to Nanoparticles

Presented by Marthe Bideault

Polyvalent Machine-Learned Potential for Cobalt: from Bulk to Nanoparticles
Advancing Molecular-Scale Modeling: A Novel Approach for Semicrystalline Polymers

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

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

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

Presented by Garrett Tow

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

Special Presentation

A Conversation with Bruce Eichinger
Interview with Dr. Jozef Bicerano, a world-expert in polymer modeling

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

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

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

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

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

Presented by Dr. Marianna Yiannourakou

Molecular Modeling of Kerogen Structure, Thermodynamic and Transport Properties
The Open Catalyst Project

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

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)

Presented by Dr. David Reith

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

Presented by Professor Georg Kresse

Post-DFT Accuracy for Finite Temperature Properties Using Incremental Machine Learning
UGM 2021 Training 01 Classical Forcefield-based Methods

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

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

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

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

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

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

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

Presented by Prof. Erich , Imperial College London

Molecular Simulation of Fluids: The SAFT Coarse Graining Technique
Modelling Catalyst Deactivation: Multiscale Modelling of Zeolite Catalysis

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

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

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

MedeA 3.1-- Precision at Scale -The New Normal
Mesoscale Simulations

Presented by Jörg-Rüdiger Hill

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

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

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

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

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

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

Presented by Dr. Travis Kemper

Computational Analysis of Organic Photovoltaics and Organic Radical Batteries
Using MedeA to Study Formation and Properties of Polymer Networks

Presented by Dr. David Rigby

Using MedeA to Study Formation and Properties of Polymer Networks
High Value from High Throughput in the MedeA Environment

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

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

Presented by Clive Freeman, Ph.D.

An Introduction to the MedeA User Interface
MedeA 2.22: Unlock the Code

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

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

From Band Structures to Electronic Materials with MedeA
Classical (Forcefield) Methods for Chemistry and Catalysis

Presented by Xavier Rozanska and Marianna Yiannourakou

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

Presented by Erich Wimmer

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

MedeA UNCLE: Atomistic Studies of Crystalline Systems at Higher Scales

Recorded Webinars

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