singlemolecule systems / nanoscale engineering applications / proper energy minimization / forced single-molecule systems / time dependent protocol / machine learning algorithm / The free energy landscape / energy path / fixed control protocol / steps energy minimization / biological systems / post-processing methods / numerical tools / scale systems / free energy surface / constant velocity protocol / computational tools / time inhomogeneous systems / unconstrained time homogeneous systems / /
Organization
Rice University / Houston / Department of Statistics / Department of Computational and Applied Mathematics / Texas A&M University / /
Person
Danny C. Sorensen / Raymond J. Carroll / Josue G. Martinez / Bt / Christopher P. Calderon / Ai / /
Numerical Methods for Modeling Atomistic Trajectories with Diffusion SDEs Christopher P. Calderon † , Josue G. Martinez§ , Raymond J. Carroll§ , and Danny C. Sorensen †∗ †