Accurate and scalable graph neural network force field and molecular dynamics with direct force architecture by Cheol Woo Park, Mordechai Kornbluth, Jonathan Vandermause, Chris Wolverton, Boris Kozinsky, Jonathan P. Mailoa

Get full text

E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials by Simon Batzner, Albert Musaelian, Lixin Sun, Mario Geiger, Jonathan P. Mailoa, Mordechai Kornbluth, Nicola Molinari, Tess E. Smidt, Boris Kozinsky

Get full text

Chalcogen-hyperdoped germanium for short-wavelength infrared photodetection by Hemi H. Gandhi, David Pastor, Tuan T. Tran, Stefan Kalchmair, Lachlan A. Smillie, Jonathan P. Mailoa, Ruggero Milazzo, Enrico Napolitani, Marko Loncar, James S. Williams, Michael J. Aziz, Eric Mazur

Get full text

A community-powered search of machine learning strategy space to find NMR property prediction models. by Lars A Bratholm, Will Gerrard, Brandon Anderson, Shaojie Bai, Sunghwan Choi, Lam Dang, Pavel Hanchar, Addison Howard, Sanghoon Kim, Zico Kolter, Risi Kondor, Mordechai Kornbluth, Youhan Lee, Youngsoo Lee, Jonathan P Mailoa, Thanh Tu Nguyen, Milos Popovic, Goran Rakocevic, Walter Reade, Wonho Song, Luka Stojanovic, Erik H Thiede, Nebojsa Tijanic, Andres Torrubia, Devin Willmott, Craig P Butts, David R Glowacki

Get full text