Richard Messerly

10PUBLICATIONS
28CO-AUTHORS
Theoretical quantum chemistryComputational chemistryDeep learningLasers and quantum electronicsTransport properties and non-equilibrium processes
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Publications (10)

|Sep 24, 2026
A data-efficient machine-learning approach for modeling the photodynamics of all-trans hexatriene based on multireference configuration interaction calculations.

|Apr 29, 2025
Including Physics-Informed Atomization Constraints in Neural Networks for Reactive Chemistry.

Shuhao Zhang, Michael Chigaev, Olexandr Isayev

|Jan 28, 2025
Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data Augmentation.

Luan G F Dos Santos, Benjamin T Nebgen, Alice E A Allen

|Nov 21, 2024
Data Generation for Machine Learning Interatomic Potentials and Beyond.

Maksim Kulichenko, Benjamin Nebgen, Nicholas Lubbers

|Mar 07, 2024
Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential.

Shuhao Zhang, Małgorzata Z Makoś, Ryan B Jadrich

|Sep 15, 2023
Synergy of semiempirical models and machine learning in computational chemistry.

Nikita Fedik, Benjamin Nebgen, Nicholas Lubbers

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Frequent Collaborators

5 joint publications

Benjamin T Nebgen

5 joint publications

Sergei Tretiak

5 joint publications

Nicholas Lubbers

4 joint publications

Olexandr Isayev