Publications
Evolution of the energy landscape for n-alkanes: n-C14H30 to n-C20H42
J Chem Phys
(2026)
165
054310
(doi: 10.1063/5.0343219)
The energy landscape of folding in n-C14H30 described by a machine-learned potential.
The Journal of chemical physics
(2025)
163
104307
(doi: 10.1063/5.0289549)
Effect of Exact Exchange on the Energy Landscape in Self-Consistent Field Theory.
Journal of Chemical Theory and Computation
(2025)
21
1203
(doi: 10.1021/acs.jctc.4c01404)
Efficient Composite Infrared Spectroscopy: Combining the Double-Harmonic Approximation with Machine Learning Potentials
J Chem Theory Comput
(2024)
20
10986
(doi: 10.1021/acs.jctc.4c01157)
Efficient Composite Infrared Spectroscopy: Combining the Doubly-Harmonic Approximation with Machine Learning Potentials
(2024)
(doi: 10.48550/arxiv.2408.08174)
