Accelerating and enhancing thermodynamic simulations of electrochemical interfaces

22 March 2025

Papers citing "Accelerating and enhancing thermodynamic simulations of electrochemical interfaces"

5 / 5 papers shown

Title
Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles Aik Rui Tan S. Urata Samuel Goldman Johannes C. B. Dietschreit Rafael Gómez-Bombarelli BDL 51 42 0 02 May 2023
Fast Uncertainty Estimates in Deep Learning Interatomic Potentials Albert J. W. Zhu Simon L. Batzner Albert Musaelian Boris Kozinsky 27 45 0 17 Nov 2022
The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysts Richard Tran Janice Lan Muhammed Shuaibi Brandon M. Wood Siddharth Goyal ... Jehad Abed Oleksandr Voznyy Edward H. Sargent Zachary W. Ulissi C. L. Zitnick 41 176 0 17 Jun 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 234 513 0 20 Oct 2020
Machine Learning Force Fields Oliver T. Unke Stefan Chmiela H. E. Sauceda M. Gastegger I. Poltavsky Kristof T. Schütt A. Tkatchenko K. Müller AI4CE 70 897 0 14 Oct 2020