2 papers
quant-ph2023
Classical and semi-classical limits in phase space
Clay D. Spence
A semiclassical approximation is derived by using a family of wavepackets to map arbitrary wavefunctions into phase space. If the Hamiltonian can be approximated as linear over eac…
physics.chem-ph2005
Using binding free energy to guide ligand design
Charles F. F. Karney, Jason E. Ferrara, Clay D. Spence
The molecular distributions obtained from canonical Monte Carlo simulations can be used to find an approximate interaction energy. This serves as the basis of a method for estimati…