MIR at APS March meeting 2020

February 26, 2020

The Materials Intelligence Research group is ready to contribute to the APS March Meeting 2020, Monday–Friday, March 2–6, 2020; Denver, Colorado!

We have the following lineup:

Sunday Tutorial by the FLARE team:

  • Active Learning and AI for Computational and Autonomous Experiments (Sunday, March 1, Room: 605, 8:30 AM to 12:30 PM) Sponsoring Unit: APS, organizer: Boris Kozinsky, Jonathan Vandermause

Two invited talks by Jonathan Vandermause and Andrea Cepellotti:

  • Automated training of machine learned potentials with Bayesian active learning (9:48 AM, March 3, Room: 601/603) by Jonathan Vandermause
  • Beyond Fourier’s law: viscous heat equations (8:00 AM, March 4, Room: 704) by Andrea Cepellotti

Invited Symposium F36: Molecular Dynamics Ex Machina: Successes and Challenges

Focus session organized by Nicola Molinari:

  • Physics and Effects on Transport of Ion-Ion Correlation in Electrolyte Materials (Thursday, March 5, Room: 705, 11:15 AM to 4:06 PM) Sponsoring Units: DCOMP DCP DMP, Chair: Nicola Molinari

And 10 contributed oral presentations:

  • Ion clustering in electrolytes: impact on correlated transport and voltage stability (12:27 PM, March 5, Room: 705) by Eric Fadel
  • Transport anomalies in electrolytes emerging from strong ionic correlation (1:27 PM, March 5, Room: 705) by Nicola Molinari
  • Active learning of fast Bayesian force fields with mapped gaussian processes - application to stability of stanene (4:30 PM, March 4, Room: 706) by Yu Xie
  • Tensor-Field Molecular Dynamics: A Deep Learning model for highly accurate, symmetry-preserving force-fields from small data sets (2:03 PM, March 4, Room: 706) by Simon Batzner
  • Multitask machine learning of collective variables for enhanced sampling of reactive molecular dynamics (10:00 AM, March 4, Room: 706) by Lixin Sun
  • Thermoelectric properties of half-Heusler TaFeSb from first-principles electron-phonon scattering calculations (12:51 PM, March 5, Room: 704) by Natalya Fedorova
  • Adaptive dimensionality reduction for accelerated calculations of ionic conductivity in correlated electrolytes (12:51 PM, March 5, Room: 705) by Ian Leifer
  • Active Learning of Coarse Grained Force Fields with Gaussian Process Regression (12:51 PM, March 4, Room: 706) by Blake Duschatko
  • Accelerated Screening of Electron-Phonon Transport in 2D Materials (1:15 PM, March 5, Room: 704) by Jennifer Coulter
  • Molecular Dynamics Simulations of Creep in Silica-Water Systems (2:54 PM, March 2, Room: 210/212) by Anders Johansson

Feel free to contact us at any time for discussions! Happy APS March meeting!