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Upcoming Webinars

Upcoming Webinars

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Modeling Defects in Solids with DFT, doped and ShakeNBreak
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Live webinars:

September 1st, 2nd, 3rd
Live Q&A Sessions. Please choose a day and time that works for your schedule. The one hour webinar is repeated on various days and times to fit schedules worldwide.

Presented by Dr. Seán Kavanagh and Dr. Shubham Pandey

Predictive Multiscale Simulation for Advanced Materials: From Machine-Learned Atomistics to Microstructure Evolution
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Presented by Dr. Kyle Starkey

Predictive Multiscale Simulation for Advanced Materials: From Machine-Learned Atomistics to Microstructure Evolution
Modeling Interfaces and Microstructures with MedeA
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Presented by Dr. Leonid Kahle and Dr. Mikael Christensen

Modeling Interfaces and Microstructures with MedeA
Problem Solving in the Golden Age of Computational Materials Science
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Presented by Dr. Erich Wimmer

Problem Solving in the Golden Age of Computational Materials Science
Accessing the Mesoscale with Phase-field Modeling
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Presented by Dr. Michele Kotiuga, Dr. Leonid Kahle, and Dr. Kyle Starkey

Accessing the Mesoscale with Phase-field Modeling
An interview with John Harris, the originator of the Harris functional in density functional theory (DFT), and one of the founders of Materials Design
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Special Presentation

An interview with John Harris, the originator of the Harris functional in density functional theory (DFT), and one of the founders of Materials Design
Introducing Tailored Polymer Design: Harnessing Molecular Modeling & Data Science
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Presented by Dr. Marianna Yiannourakou

Introducing Tailored Polymer Design: Harnessing Molecular Modeling & Data Science
Interview with Professor Sir Richard Catlow
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Interview with Professor Sir Richard Catlow FRS

Interview with Professor Sir Richard Catlow
Mechanistic and Structural Sources of Complexity in the Atomic Scale Simulation of Brønsted Acidic Zeolite Catalysts
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Presented by Dr. Céline Chizallet from IFP Energies nouvelles

Mechanistic and Structural Sources of Complexity in the Atomic Scale Simulation of Brønsted Acidic Zeolite Catalysts
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 Prof. Jeffrey Grossman, Dept. 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
Machine-Learned Potentials: DFT-Level Accuracy for Real-World R&D
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Presented by Cheng-Wei Lee

Machine-Learned Potentials: DFT-Level Accuracy for Real-World R&D
High-Throughput Molecular Simulations for Gas Sorption in Polymers: Automated Workflows for Industrial Materials Design
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Presented by Dr. Marianna Yiannourakou

High-Throughput Molecular Simulations for Gas Sorption in Polymers: Automated Workflows for Industrial Materials Design
Precision at Scale with Machine-Learned Potentials
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Presented by Dr. Volker Eyert and Dr. Jörg-Rüdiger Hill

Precision at Scale with Machine-Learned Potentials
Predicting the Future of Materials – with Multiscale Modeling
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Presented by Dr. Erich Wimmer and Dr. Kyle Starkey

Predicting the Future of Materials – with Multiscale Modeling
Unlimited Energy? Materials Modeling for Nuclear Fusion
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Presented by Dr. Erich Wimmer and Dr. Gerhard Engel

Unlimited Energy? Materials Modeling for Nuclear Fusion
VASP: Present and Future
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Presented by Dr. Martijn Marsman and Dr. Manuel Engel from VASP GmbH and the University of Vienna

VASP: Present and Future
Genomic Materials Design: Enabling Concurrency
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Presented by Professor. Greg Olson from MIT

Genomic Materials Design: Enabling Concurrency
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 Prof. Adri van Duin from Pennsylvania State University & Dr. Ray Shan

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

Recorded Webinars

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.

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