Javier Heras-Domingo

According to our database, Javier Heras-Domingo authored at least 5 papers between 2020 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV Data Set.

Aaron G. Garrison, Javier Heras-Domingo, John R. Kitchin, Gabriel dos Passos Gomes, Zachary W. Ulissi, Samuel M. Blau

J. Chem. Inf. Model., December, 2023

<i>WhereWulff</i>: A Semiautonomous Workflow for Systematic Catalyst Surface Reactivity under Reaction Conditions.

Rohan Yuri Sanspeur, Javier Heras-Domingo, John R. Kitchin, Zachary W. Ulissi

J. Chem. Inf. Model., April, 2023

2022

The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysis.

Richard Tran, Janice Lan, Muhammed Shuaibi, Siddharth Goyal, Brandon M. Wood, Abhishek Das, Javier Heras-Domingo, Adeesh Kolluru, Ammar Rizvi, Nima Shoghi, Anuroop Sriram, Zachary W. Ulissi, C. Lawrence Zitnick

CoRR, 2022

2020

The Open Catalyst 2020 (OC20) Dataset and Community Challenges.

Lowik Chanussot, Abhishek Das, Siddharth Goyal, Thibaut Lavril, Muhammed Shuaibi, Morgane Riviere, Kevin Tran, Javier Heras-Domingo, Caleb Ho, Weihua Hu, Aini Palizhati, Anuroop Sriram, Brandon M. Wood, Junwoong Yoon, Devi Parikh, C. Lawrence Zitnick, Zachary W. Ulissi

CoRR, 2020

An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage.

C. Lawrence Zitnick, Lowik Chanussot, Abhishek Das, Siddharth Goyal, Javier Heras-Domingo, Caleb Ho, Weihua Hu, Thibaut Lavril, Aini Palizhati, Morgane Riviere, Muhammed Shuaibi, Anuroop Sriram, Kevin Tran, Brandon M. Wood, Junwoong Yoon, Devi Parikh, Zachary W. Ulissi

CoRR, 2020