This year’s UGM technical symposium features lectures from MedeA users in leading chemical, automotive, and engineering industries as well as contributions from key scientists and developers of the software technology such as VASP underlying the MedeA Environment. Our Spotlight today is on Arthur France-Lanord, PhD.
After studying mechanical engineering at université de Lorraine in Nancy, Arthur France-Lanord went on to prepare a Ph.D. in physics at université Paris Sud and Materials Design, where he was supervised by Erich Wimmer. He focused on the modeling of both thermal and electronic transport phenomena at the nanoscale. After graduating in 2016, he joined the contract research team at Materials Design, working on a wide range of problems relevant to the industry. In 2017, he joined Jeffrey Grossman’s group at MIT, where he currently investigates ion transport in polymer electrolytes. Arthur has a broad interest in computational materials science, more particularly in nanoscale transport phenomena, and energy storage applications.
Ion transport in polymer electrolytes: from theory to machine learning
The future of a number of technologies requires significant improvements in energy storage techniques. Batteries with a higher energy density, which are safer, more efficient, less expensive, and greener, are essential. In this context, lithium-ion (Li-ion) batteries based on a solid polymeric electrolyte are promising candidates, being much safer and less expensive than current liquid-based technologies. Designing optimal polymer/salt mixtures for battery applications requires us to gain a deeper understanding of the fundamental ionic transport mechanisms at play in these systems, which can be achieved from a combination of experimental characterization and computer simulations.
In this talk, I will present some results of a major research project at MIT funded by the Toyota Research Institute (TRI), which aims at designing high performance polymer electrolytes for application in Li-ion batteries. This is a joint effort between experimentalists, theoreticians, and computer scientists. Here, I will discuss newly developed computational and theoretical methods aimed at understanding ion transport in such electrolytes, and improving their transport properties. These approaches include: 1) theoretical considerations on ion-ion correlations leading to deviations to ideal solution behavior; 2) coupling of coarse-grained molecular dynamics and Bayesian optimization for design purposes, and 3) graph convolutional networks applied to Markov state models for the unsupervised learning of complex atomic scale dynamics.
Other internationally renowned speakers at the User Group Meeting include:
Antoine Claisse (Westinghouse, Sweden)
Georg Kresse (University of Vienna, Austria)
James (Jimmy) P. Stewart (University of Strathclyde, Scotland)
Krzysztof Parlinski (University of Cracow, Poland)
Marianna Yiannourakou (Materials Design)
Moritz to Baben (GTT, Germany)
Richard Catlow (Royal Society, U.K.)
Richard Smith (Naval Nuclear Laboratory, USA)
Ryan Thomas (Honeywell, USA)
Stéphane Brice Olou’ou Guifo (Volkswagen, Germany)
Veronique Lachet (IFP-EN, France)
Wes Everhart (Honeywell, USA)
Tuesday 15 October:
Hands on MedeA Training
Welcome Cocktail Reception
Wednesday 16 October:
Thursday 17 October:
Presentations cover a broad range of research and modeling areas that will educate and inspire. It is this type of research which fuels the development of our software and enriches its scientific foundation.
Attend Hands-on Training:
Tuesday October 15 will be dedicated to Hands-on MedeA training.
A Windows laptop will be provided for each participant for the training, and all participants receive a training booklet. Materials Design scientists will be in the classroom to answer any questions on training materials and your modeling scenarios. This training session provides an exclusive opportunity to learn about theMedeA Environment software and to meet and interact with application and research scientists and software developers. Lunch, coffee breaks, and refreshments will be provided.
Present Your Research: Poster Session:
As part of this year's technical program, Materials Design will hold its first annual UGM poster session. Materials Design invites all its attending customers to present their research in a poster session during a relaxed yet invigorating cocktail social hour on Tuesday, October 15th after the training. Posters will prominently remain on display throughout the UGM. The poster session will be dedicated to recent developments in materials science using MedeA. If you are interested in presenting a poster at this year's UGM, please contact Dr. Ray Shan at firstname.lastname@example.org. Please provide a title and a brief abstract for your proposed poster.
Network with Peers:
The Materials Design User Group Meeting represents an occasion to meet colleagues and developers, present results, learn about developments in MedeA, and see the latest developments in computational material science and engineering.
Austria Trend Parkhotel Schönbrunn
1130 Wien, Austria
+43 (1) 87 804-0 Hotel Number
+43 (1) 87 804-603 Room Reservations
Negotiated Room Rates:
We have secured a special UGM room rate of €140/night (single occupancy) and €159/night (double occupancy) with the Austria Trend Parkhotel Schönbrunn.
Register now to secure your place at the 2019 Materials Design UGM.
Registration for the User Group Meeting includes hands-on training, educational sessions, technical presentations and the opportunity for collaborative discussion with Materials Design and its network of collaborators October 15 – 17, 2019. Engage and network with MedeA users during a welcome cocktail reception, a customer banquet, a poster session, lunches, and coffee breaks, included when you register for the event. Registration is no cost for all current Materials Design customers.
If you have any questions, please contact email@example.com.