Search for tag: "constants"

Quasiclassical Trajectory Calculations of Rate Constants Using an Ab-initio Trained Machine Learning Force Field (aML-MD), Zhiyu Shi, GS (7ACD870A)

Machine learning (ML) provides a great opportunity for the construction of models with improved accuracy for classical molecular dynamics (MD). However, the accuracy of a machine learning trained…

From  Research Princeton Research Day 1 likes 26 plays

cos326-2020-06-02-simple-evaluation

Implementing Ocaml in Ocaml: Part 2: Substitution and Evaluation

From  Daniel Macleod 0 likes 273 plays