This code was developed at JILA in Boulder, CO by @Joel-Venzke during his PHD, and contributed to by Cory Goldsmith. It solves the Time Dependent Schroedinger Equation for ultrafast laser pulses ...

This project is a replication of ''Physics-informed neural networks: A deep learning framework for solving forward and inverse problems involving nonlinear partial differential equations'' by M.

The Boresch et al. (68) equation was used to analytically calculate the restraints in the decoupled ORY () system. The absolute binding free energy for each representative structure was obtained using ...

Contributed by Margaret A. Phillips; received July 30, 2022; accepted November 8, 2022; reviewed by Robert A. Bonomo and Michael K. Riscoe ...