Search

Categories

Catalysis

(2)

Materials Chemistry

(1)

Materials Science

(2)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(3)

Published Date

Over 3 years

(1)

Last 3 years

(2)

Last 12 months

(1)

Keywords

Graph networks

Authors

3 results in Keywords: Graph networks

Adsorbate chemical environment-based machine learning framework for heterogeneous catalysis

Pushkar Ghanekar, Siddharth Deshpande, Jeffrey Greeley

Version 1 posted 23 August 2021

901

Downloads

1

Citations

Theoretical and Computational Chemistry

LiCOMPGNN - Lightweight Contextual Message Passing for Crystalline Materials Property Prediction

Zachary Humphreys, Xenophon Evangelopoulos, Stavros Gerolymatos, Edward O. Pyzer-Knapp, Andrew I. Cooper

Version 1 posted 08 August 2024

316

Downloads

Active Learning of Ternary Alloy Structures and Energies

Gaurav Deshmukh, Noah J. Wichrowski, Nikolaos Evangelou, Pushkar G. Ghanekar, Siddharth Deshpande, Ioannis G. Kevrekidis, Jeffrey Greeley

Version 1 posted 07 June 2023

472

Downloads

1

Citations