1 citations · 1 across the 3 of their papers we have counts for
4 papers
Global properties of the energy landscape: a testing and training arena for machine learned potentials
Vlad Cărare, Fabian L. Thiemann, Joe Morrow +3
Machine learning interatomic potentials (MLIPs) have achieved remarkable accuracy on standard benchmarks, yet their ability to reproduce molecular kinetics -- critical for reaction…
Energy Landscapes for the Quantum Approximate Optimisation Algorithm
Boy Choy, David J. Wales
Variational quantum algorithms (VQAs) have demonstrated considerable potential in solving NP-hard combinatorial problems in the contemporary near intermediate-scale quantum (NISQ)…
On the global minimum of the classical potential energy for clusters bound by many-body forces
Michael K. -H. Kiessling, David J. Wales
This note establishes, first of all, the monotonic increase with of the average -body energy of classical -body ground state configurations with monomers that i…
Morphological analysis of chiral rod clusters from a coarse-grained single-site chiral potential
B. J. Sutherland, S. W. Olesen, H. Kusumaatmaja +2
We present a coarse-grained single-site potential for simulating chiral interactions, with adjustable strength, handedness, and preferred twist angle. As an application, we perform…