Bulletin of the American Physical Society

2024 APS March Meeting

Monday–Friday, March 4–8, 2024; Minneapolis & Virtual

Session Index

Session D60: Machine Learning of Molecules and Materials: Chemical Space and Dynamics

Sponsoring Units: DCOMP
Chair: Davide Tisi, Federal Institute of Technology (EPFL)
Room: 207AB

Monday, March 4, 2024 3:00PM - 3:36PM		D60.00001: Quantum Machine Learning Invited Speaker: O. Von Lilienfeld
Monday, March 4, 2024 3:36PM - 3:48PM		D60.00002: Machine learning and many-body molecular interactions Francesco Paesani
Monday, March 4, 2024 3:48PM - 4:00PM		D60.00003: Thermodynamic and electronic properties of water and ice: joining machine learning and manybody perturbation theory Davide Donadio, Margaret Berrens, Arpan Kundu, Zekun Chen, Marcos Calegari Andrade, Tuan Anh Pham, Giulia Galli
Monday, March 4, 2024 4:00PM - 4:12PM		D60.00004: Accurate thermodynamic tables for solids using Machine Learning Interaction Potentials and Covariance of Atomic Positions Mgcini K Phuthi, Yang Huang, Michael Widom, Ekin D Cubuk, Venkat Viswanathan
Monday, March 4, 2024 4:12PM - 4:48PM		D60.00005: AI-enhanced chemical physics simulations Invited Speaker: Pavlo Dral
Monday, March 4, 2024 4:48PM - 5:00PM		D60.00006: Learning polarization using equivariant neural networks Stefano Falletta, Andrea Cepellotti, Albert Musaelian, Anders Johansson, Chuin Wei Tan, Boris Kozinsky
Monday, March 4, 2024 5:00PM - 5:12PM		D60.00007: Efficient ensemble averaging methods to study electronic structure at finite temperature from first principles calculations using neural network Niraj Aryal, Sheng Zhang, Gia-Wei Chern
Monday, March 4, 2024 5:12PM - 5:24PM		D60.00008: Predicting electron dynamics in proton-irradiated small molecules by recurrent neural networks Ethan P Shapera, Cheng-Wei Lee
Monday, March 4, 2024 5:24PM - 5:36PM		D60.00009: Efficient mapping of CO₂RR intermediates adsorption energies on Cu_1-xM_x bimetallic alloys via Machine Learning Mattia Salomone, Francesca Risplendi, Michele Re Fiorentin, Federico Raffone, Alejandro Cañete Arché, Timo Sommer, Max García-Melchor, Giancarlo Cicero
Monday, March 4, 2024 5:36PM - 5:48PM		D60.00010: Machine Learning with Semi-Empirical Quantum Mechanical Methods for Band Gap Prediction Omololu Akin-Ojo, Ezekiel Oyeniyi, Adeolu O Ayoola, Damilare Babatunde

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Bulletin of the American Physical Society

2024 APS March Meeting

Monday–Friday, March 4–8, 2024; Minneapolis & Virtual

Session Index

Session D60: Machine Learning of Molecules and Materials: Chemical Space and Dynamics

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