Webinars

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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

High-Throughput Molecular Simulations for Gas Sorption in Polymers: Automated Workflows for Industrial Materials Design

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Live webinars:

February 24th, 25th, 26th. 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. Marianna Yiannourakou

Materials Design Webinars

Upcoming Webinars

High-Throughput Molecular Simulations for Gas Sorption in Polymers: Automated Workflows for Industrial Materials Design

Live webinars:

Problem Solving in the Golden Age of Computational Materials Science

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

Introducing Tailored Polymer Design: Harnessing Molecular Modeling & Data Science

Interview with Professor Sir Richard Catlow

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

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

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

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

A Foundation for the Atomistic Simulation of Solid Rocket Propellants

A Conversation with Bruce Eichinger

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

Atomistic Simulations with High-Dimensional Neural Network Potentials

Materials Innovations for Chemical Separations

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

The Open Catalyst Project

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

MedeA Training: MedeA Machine Learning Potential Generator (MLPG)

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

UGM 2021 Training 01 Classical Forcefield-based Methods

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

Calculs à Haut Débit dans l’Environnement Logiciel MedeA

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

Training-Advanced Atomic Model Building Based on Comprehensive Databases

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

Molecular Simulation of Fluids: The SAFT Coarse Graining Technique

Modelling Catalyst Deactivation: Multiscale Modelling of Zeolite Catalysis

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

MedeA 3.1-- Precision at Scale -The New Normal

Mesoscale Simulations

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

High Value from High Throughputin the MedeA Environment Replay

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

Use of Polymer Theoretical Concepts in Atomistic Polymer Simulation Software

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

Computational Analysis of Organic Photovoltaics and Organic Radical Batteries

Using MedeA to Study Formation and Properties of Polymer Networks

High Value from High Throughput in the MedeA Environment

Predicting Elastic Properties Using Ab Initio And Forcefield Based Simulations

An Introduction to the MedeA User Interface

MedeA 2.22: Unlock the Code

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

From Band Structures to Electronic Materials with MedeA

Classical (Forcefield) Methods for Chemistry and Catalysis

Computational Metallurgy: Grain Boundaries, Diffusion, and Surface Reactivity

Precision at Scale with Machine-Learned Potentials

Predicting the Future of Materials – with Multiscale Modeling

Unlimited Energy? Materials Modeling for Nuclear Fusion

VASP: Present and Future

Genomic Materials Design: Enabling Concurrency

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

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

De Novo Polymer Design Breakthrough

The Past, Present, and Future of Forcefield Technologies

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

MedeA Training: Multiscale Modeling of Polymers Using the MedeA Environment

On-the-fly Machine Learning Forcefields with MedeA VASP

Training: Generating and Applying Machine-Learned Potentials with MedeA

Medea Training: Simulations of Gas Separation Through Nanofiltration

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

Lessons Learned Solving Industrial Problems

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

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

Medea Training: MedeA VASP and Battery Applications

UGM 2021 Interview with Professor Chris Van de Walle

Catalytic Processes for Sustainable Chemicals and Fuels

The Innovative Force of High-Performance Computing in Materials Science

Advancing Automotive Innovation with Materials Modeling

High Value from High Throughput
in the MedeA Environment Replay