Agenda
The Materials Design User Group Meeting represents a unique opportunity to interact with colleagues and developers, present results, learn about developments in MedeA, and see the latest developments in computational material science and engineering.
The Plenary Sessions and Training Sessions will be open to all registrants in 2022. Sessions cover a broad range of research and modeling areas that will educate and inspire.
Speakers include:
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Prof. Jörg Behler
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Dr. Jozef Bicerano
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Prof. Jeffrey Grossman
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Prof. Georg Kresse
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Dr. Carla Verdi
Register for the UGM.
Learn about our Plenary Speakers.
October 4, 2022
plenary
Materials Innovations for Separations
Jeffrey Grossman
October 4, 2022, 1:00 PM EDT / 10:00 AM PDT
Materials Innovations for Separations
October 6, 2022
training
MedeA Training: Simulations of Gas Separation Through Nanofiltration
Dr. Rene Windiks
October 6, 2022, 8:00 AM PDT
Building realistic models of interfaces and interphases between active materials in battery cells.
October 11, 2022
plenary
Atomistic Simulations with High-Dimensional Neural Network Potentials
Jörg Behler
October 11, 2022, 11:00 AM PDT / 8:00 AM PDT
In this talk, the evolution of MLPs will be illustrated using high-dimensional neural networks, an important and frequently used type of MLPs. Some examples concerning their applicability will be presented.
October 13, 2022
training
MedeA Training: Machine Learned Potentials
David Reith
October 13, 2022, 8:00 AM PDT
MedeA training session focusing on MLP
October 18, 2022
plenary
Δ-Machine Learning Beyond DFT: from Phase Transitions to Quantum
Paraelectricity and CO Adsorption
Professor Georg Kresse
October 18, 2022, 10:00 AM EDT / 7:00 AM PDT
This talk will discuss the on-the-fly learning
technique implemented in VASP, based on molecular dynamics and Bayesian
inference, and a Δ-machine learning approach
October 20, 2022
training
MedeA Training: VASP Applications
Dr. Xiaoli Liu
October 20, 2022, 8:00 AM PDT
MedeA training session focusing on VASP
October 25, 2022
plenary
Interview with Dr. Jozef Bicerano, World-expert in Polymer Modeling
Jozef Bicerano
October 25, 2022, 10:00 AM EDT / 7:00 AM PDT
In this interview, Dr. Bicerano will tell us about his career that led to these accomplishments, his experience in industry, and the growing impact of computer simulations.
October 27, 2022
training
MedeA Training: Polymer Applications
Dr. Jörg-Rüdiger Hill
October 27, 2022, 8:00 AM PDT
MedeA training session focusing on Polymers