Learned Force Fields Are Ready For Ground State Catalyst Discovery

26 September 2022

Papers citing "Learned Force Fields Are Ready For Ground State Catalyst Discovery"

5 / 5 papers shown

Title
Towards Predicting Equilibrium Distributions for Molecular Systems with Deep Learning Shuxin Zheng Jiyan He Chang-Shu Liu Yu Shi Ziheng Lu ... Peiran Jin Chi Chen Frank Noé Haiguang Liu Tie-Yan Liu AI4CE 19 40 0 08 Jun 2023
AdsorbML: A Leap in Efficiency for Adsorption Energy Calculations using Generalizable Machine Learning Potentials Janice Lan Aini Palizhati Muhammed Shuaibi Brandon M. Wood Brook Wander Abhishek Das M. Uyttendaele C. L. Zitnick Zachary W. Ulissi 21 44 0 29 Nov 2022
The Open Catalyst 2020 (OC20) Dataset and Community Challenges L. Chanussot Abhishek Das Siddharth Goyal Thibaut Lavril Muhammed Shuaibi ... Brandon M. Wood Junwoong Yoon Devi Parikh C. L. Zitnick Zachary W. Ulissi 223 503 0 20 Oct 2020
Dynamical Isometry and a Mean Field Theory of CNNs: How to Train 10,000-Layer Vanilla Convolutional Neural Networks Lechao Xiao Yasaman Bahri Jascha Narain Sohl-Dickstein S. Schoenholz Jeffrey Pennington 220 348 0 14 Jun 2018
Interaction Networks for Learning about Objects, Relations and Physics Peter W. Battaglia Razvan Pascanu Matthew Lai Danilo Jimenez Rezende Koray Kavukcuoglu AI4CE OCL PINN GNN 278 1,400 0 01 Dec 2016