Evan Walter Clark Spotte-Smith

According to our database, Evan Walter Clark Spotte-Smith authored at least 6 papers between 2020 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of three.

2026

Gradient-based optimization of complex nanoparticle heterostructures enabled by deep learning on heterogeneous graphs.

Eric Sivonxay, Lucas Attia, Evan Walter Clark Spotte-Smith, Benjamín Sánchez-Lengeling, Xiaojing Xia, Daniel Barter, Emory M. Chan, Samuel M. Blau

Nat. Comput. Sci., January, 2026

2025

Considering the ethics of large machine learning models in the chemical sciences.

Evan Walter Clark Spotte-Smith

Mach. Learn. Sci. Technol., 2025

HEPOM: Using Graph Neural Networks for the Accelerated Predictions of Hydrolysis Free Energies in Different pH Conditions.

Rishabh D. Guha, Santiago Vargas, Evan Walter Clark Spotte-Smith, Alexander Rizzolo Epstein, Maxwell C. Venetos, Ryan Kingsbury, Mingjian Wen, Samuel M. Blau, Kristin A. Persson

J. Chem. Inf. Model., 2025

2024

RNMC: kinetic Monte Carlo implementations for complex reaction networks.

Laura Zichi, Daniel Barter, Eric Sivonxay, Evan Walter Clark Spotte-Smith, Rohith Srinivaas Mohanakrishnan, Emory M. Chan, Kristin A. Persson, Samuel M. Blau

J. Open Source Softw., December, 2024

2023

Chemical reaction networks and opportunities for machine learning.

Mingjian Wen, Evan Walter Clark Spotte-Smith, Samuel M. Blau, Matthew J. McDermott, Aditi S. Krishnapriyan, Kristin A. Persson

Nat. Comput. Sci., 2023

2020

Aqueous Diels-Alder reactions for thermochemical storage and heat transfer fluids identified using density functional theory.

Evan Walter Clark Spotte-Smith, Peiyuan Yu, Samuel M. Blau, Ravi S. Prasher, Anubhav Jain

J. Comput. Chem., 2020