AdsorbML: A Leap in Efficiency for Adsorption Energy Calculations using
Generalizable Machine Learning Potentials

AdsorbML: A Leap in Efficiency for Adsorption Energy Calculations using Generalizable Machine Learning Potentials

29 November 2022

Muhammed Shuaibi

Brandon M. Wood

Zachary W. Ulissi

Papers citing "AdsorbML: A Leap in Efficiency for Adsorption Energy Calculations using Generalizable Machine Learning Potentials"

9 / 9 papers shown

Title
Cross-functional transferability in universal machine learning interatomic potentials Xu Huang B. Deng Peichen Zhong Aaron D. Kaplan Kristin A. Persson Gerbrand Ceder 29 0 0 07 Apr 2025
Transfer learning from first-principles calculations to experiments with chemistry-informed domain transformation Yuta Yahagi Kiichi Obuchi Fumihiko Kosaka Kota Matsui 24 0 0 20 Mar 2025
MoMa: A Modular Deep Learning Framework for Material Property Prediction Botian Wang Y. Ouyang Yaohui Li Y. Wang Haorui Cui Jianbing Zhang Xiaonan Wang Wei-Ying Ma Hao Zhou 44 0 0 21 Feb 2025
AUGUR, A flexible and efficient optimization algorithm for identification of optimal adsorption sites I. Kouroudis Poonam Neel Misciaci Felix Mayr Leon Müller Zhaosu Gu A. Gagliardi 19 0 0 24 Sep 2024
AdsorbDiff: Adsorbate Placement via Conditional Denoising Diffusion Adeesh Kolluru John R. Kitchin DiffM 42 4 0 07 May 2024
Adaptive Catalyst Discovery Using Multicriteria Bayesian Optimization with Representation Learning Jie Chen Pengfei Ou Yuxin Chang Hengrui Zhang Xiao-Yan Li E. H. Sargent Wei Chen 32 0 0 18 Apr 2024
Adapting OC20-trained EquiformerV2 Models for High-Entropy Materials Christian M. Clausen Jan Rossmeisl Zachary W. Ulissi 29 1 0 14 Mar 2024
Spherical Channels for Modeling Atomic Interactions C. L. Zitnick Abhishek Das Adeesh Kolluru Janice Lan Muhammed Shuaibi Anuroop Sriram Zachary W. Ulissi Brandon M. Wood 79 58 0 29 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 226 503 0 20 Oct 2020