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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!

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

Presented by Dr. Leonid Kahle and Dr. Kyle Starkey

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Polyvalent Machine-Learned Potential for Cobalt: from Bulk to Nanoparticles

Presented by Marthe Bideault

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Sorption and Diffusion of Small Gas Molecules in Semicrystalline Models: A Molecular-Scale Investigation

Presented by Dr. Boris Belin

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Advancing Molecular-Scale Modeling: A Novel Approach for Semicrystalline Polymers

Presented by Dr. Boris Belin

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De Novo Polymer Design Breakthrough

Presented by Dr. Jozef Bicerano and Dr. Clive Freeman

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A Study of VASP Simulations in Semiconductors: from Materials Engineering to Band Alignment

Presented by Dr. Xiaoli Liu

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The Past, Present, and Future of Forcefield Technologies

Presented by Dr. Garrett Tow

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Machine-Learned Potentials: Surpassing the Limits of the ab initio World without leaving it behind

Presented by Dr. Volker Eyert and Dr. Xiaoli Liu

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The Basis of Success. A Conversation with the President of Gaussian Inc., Dr. Mike Frisch

On Demand

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A Foundation for the Atomistic Simulation of Solid Rocket Propellants

Presented by Garrett Tow

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

Presented by Dr. Marianna Yiannourakou

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A Conversation with Bruce Eichinger

Special Presentation

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MedeA Training: Multiscale Modeling of Polymers Using the MedeA Environment

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

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

UGM 2022: Jozef Bicerano and Erich Wimmer

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On-the-fly Machine Learning Forcefields with MedeA VASP

UGM 2022: Presented by Shubham Pandey and Xiaoli Liu

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

UGM 2022: Presented by Carla Verdi and Georg Kresse

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Training: Generating and Applying Machine-Learned Potentials with MedeA

UGM 2022: Presented by Dr. David Reith

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Atomistic Simulations with High-Dimensional Neural Network Potentials

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

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Medea Training: Simulations of Gas Separation Through Nanofiltration

UGM 2022: Presented by René Windiks

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Materials Innovations for Chemical Separations

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

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

Presented by Shubham Pandey

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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

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Lessons Learned Solving Industrial Problems

Presented by Xavier Rozanska

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Molecular Modeling of Kerogen Structure, Thermodynamic and Transport Properties

Presented by Dr. Marianna Yiannourakou

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Atomistic and Mesoscopic Modeling of Structure-Property Relations in Polymers

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

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The Open Catalyst Project

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

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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

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

Presented by Dr. Svitlana Iljenko, of MSI

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

Presented by Erich Wimmer, Volker Eyert, and David Reith

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MedeA Training: MedeA Machine Learning Potential Generator (MLPG)

Presented by Dr. David Reith

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Medea Training: MedeA VASP and Battery Applications

Presented by Dr. René Windiks

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

Presented by Professor Georg Kresse

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UGM 2021 Interview with Professor Chris Van de Walle

Presenters Chris Van de Walle and Erich Wimmer

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UGM 2021 Training 01 Classical Forcefield-based Methods

Presented by Marianna Yiannourakou and Jörg-Rüdiger Hill

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Catalytic Processes for Sustainable Chemicals and Fuels

Professor Sir Richard Catlow

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

Presented by Dr. Marianna Yiannourakou and Dr. Xavier Rozanska

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The Innovative Force of High-Performance Computing in Materials Science

Presented by Erich Wimmer, Evan Weinberg, and Stefan Maintz

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Calculs à Haut Débit dans l’Environnement Logiciel MedeA

Presented by Dr. Xavier Rozanska

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Advancing Automotive Innovation with Materials Modeling

Industry Speaker: Dr. Jonathan Mueller, Volkswagen AG

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

Training with Q&A presented by Dr. David Reith

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Development of New Solvents for CO2 Capture Using Molecular Simulations

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

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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.

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

Presented by Dr. Svitlana Iljenko and Dr. René Windiks

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

Presented by Dr. Siwen Wang

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

Presented by Dr. Siwen Wang

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

Presented by Dr. Taylor Juran

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

Presented by Dr. Taylor Juran

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Molecular Simulation of Fluids: The SAFT Coarse Graining Technique

Presented by Prof. Erich , Imperial College London

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Computational Pharmaceutical Science: Guiding Experiments in a Sea of Variables

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

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Modelling Catalyst Deactivation: Multiscale Modelling of Zeolite Catalysis

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

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The Random Phase Approximation: A Practical Method Beyond DFT

Presented by Professor Georg Kresse

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

Presented by Professor Richard Catlow FRS

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

Presented by Dr. Lindsay Roy of Savannah River National Laboratory

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MedeA 3.1-- Precision at Scale -The New Normal

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

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Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof

Presented by Dr. René Windiks

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Mesoscale Simulations

Presented by Jörg-Rüdiger Hill

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VASP.6: Total energies beyond DFT

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

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

Presented by Dr. Erich Wimmer and Dr. Benoit Minisini

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Elasticity and Beyond: Predicting Mechanical Properties with MedeA

Presented by Dr. Ray Shan

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High Value from High Throughput
in the MedeA Environment Replay

Presented by Dr. Clive Freeman

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

Presented by Dr. Walter Wolf

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

Presented by Dr. Erich Wimmer and Dr. Mikael Christensen

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MedeA 3.0 Getting to Science Faster

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

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Use of Polymer Theoretical Concepts in Atomistic Polymer Simulation Software

Presented by Dr. David Rigby

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Thermodynamic Properties of Multifunctional Polycyclic Compounds from Simulation

Presented by Dr. Philippe Ungerer

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

Presented by Dr. Ray Shan

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The Color of Materials: Value from Computed Optical Properties

Presented by Dr. Erich Wimmer and Dr. Volker Eyert

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Computational Analysis of Organic Photovoltaics and Organic Radical Batteries

Presented by Dr. Travis Kemper

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Developing and Applying Correlative Models in Materials Science

Presented by Dr. Clive Freeman and Dr. Marianna Yiannourakou

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Using MedeA to Study Formation and Properties of Polymer Networks

Presented by Dr. David Rigby

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Predicting Petroleum Fraction Thermophysical Properties - Advances in Molecular Simulation

Presented by Dr. Marianna Yiannourakou

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High Value from High Throughput in the MedeA Environment

Presented by Erich Wimmer and Clive Freeman

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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

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Predicting Elastic Properties Using Ab Initio And Forcefield Based Simulations

Presented by Dr. David Rigby and Dr. Walter Wolf

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Advancing the Design of Materials for Batteries Through Atomic-Scale Modeling

Presented by Dr. René Windiks

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An Introduction to the MedeA User Interface

Presented by Clive Freeman, Ph.D.

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Harness the Power of LAMMPS Molecular Dynamics Code with MedeA

Presented by Dr. Ray Shan

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MedeA 2.22: Unlock the Code

Presented by Dr. Walter Wolf and Dr. Marianna Yiannourakou

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Classical Forcefields for Modeling Materials on Atomic Scale

Presented by Dr. Ray Shan

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Fluid Properties from Molecular Simulation: Applications in Chemical Engineering and the Oil & Gas Industry

Presented by Dr. Marianna Yiannourakou

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High Throughput Simulations in the Materials Design MedeA Environment

Presented by Dr. Clive Freeman

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From Band Structures to Electronic Materials with MedeA

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VASP In MedeA: A Fast Way from Models to Reliable Results with Dr. Walter Wolf

Presented by Dr. Walter Wolf

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Classical (Forcefield) Methods for Chemistry and Catalysis

Presented by Xavier Rozanska and Marianna Yiannourakou

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Atomic-Scale Modeling With MedeA: A Path To Innovation In Batteries

Presented by René Windiks

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Computational Metallurgy: Grain Boundaries, Diffusion, and Surface Reactivity

Presented by Erich Wimmer

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Computational Polymer Science: Atomistic Modeling Tools and Materials Applications

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MedeA UNCLE: Atomistic Studies of Crystalline Systems at Higher Scales

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Download webinar slides! Each are posted on the recording page under the webinar title-after the live sessions end.
 

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