Robert Q. Topper

Stochastic Neural Network Approach for Learning High-Dimensional Free Energy Surfaces

Elia Schneider, Luke Dai, Robert Q. Topper et al. · Physical Review Letters · 2017 · 142 citations

Geometric Learning, Ensemble Averages, Engineering +18

Cylindrical manifolds in phase space as mediators of chemical reaction dynamics and kinetics. I. Theory

N. De Leon, Manish Mehta, Robert Q. Topper · The Journal of Chemical Physics · 1991 · 109 citations

Engineering, Computational Chemistry, Chemistry +22

Comparison of the Performance of Machine Learning Models in Representing High-Dimensional Free Energy Surfaces and Generating Observables

Joseph R. Cendagorta, Jocelyn Tolpin, Elia Schneider et al. · The Journal of Physical Chemistry B · 2020 · 55 citations

Geometric Learning, Engineering, Machine Learning +25

Cylindrical manifolds in phase space as mediators of chemical reaction dynamics and kinetics. II. Numerical considerations and applications to models with two degrees of freedom

N. De Leon, Manish Mehta, Robert Q. Topper · The Journal of Chemical Physics · 1991 · 49 citations

Engineering, Computational Chemistry, Mathematical Statistical Physic +19

Quantum free-energy calculations: Optimized Fourier path-integral Monte Carlo computation of coupled vibrational partition functions

Robert Q. Topper, Donald G. Truhlar · The Journal of Chemical Physics · 1992 · 33 citations

Quantum Dynamic, Engineering, Nuclear Physics +22