Search for tag: "trajectories"
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
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