Thomas E Markland

34PUBLICATIONS
66CO-AUTHORS
Quantum engineering systems (incl. computing and communications)Theoretical quantum chemistrySemi- and unsupervised learningPhotochemistryReaction kinetics and dynamics
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (34)

|Aug 17, 2026
Streamlining analysis and design of two-dimensional electronic spectroscopy using machine learning.

|Jun 09, 2026
Pushing the Limits of One-Dimensional NMR Spectroscopy for Automated Structure Elucidation Using Artificial Intelligence.

|Jun 05, 2026
Accuracy and Efficiency Benchmarks of Pretrained Machine Learning Potentials for Molecular Simulations.

|Apr 01, 2026
Efficient simulation of optical spectra via machine learning and physical decomposition of environmental effects.

Andrew Snider, Michael S Chen, Thomas E Markland

|Dec 02, 2025
Two-dimensional electronic spectra from trajectory-based dynamics: Pure-state Ehrenfest, spin-mapping, and mean classical path approaches.

Annina Z Lieberherr, Joseph Kelly, Johan E Runeson

|Jun 11, 2025
Proton-Transfer Kinetics at Liquid-Liquid Interfaces.

Nick D'Antona, Joseph Kelly, Nadia Barnard

Pageof 6

Frequent Collaborators

6 joint publications

Michael S Chen

5 joint publications

Andrés Montoya-Castillo

5 joint publications

Peter Eastman

4 joint publications

Tobias Morawietz