Showing results (1-10 of 168) with videos related to
Sort By:
Pageof 17
The Journal of Chemical Physics|December 4, 2018
Using rectangular collocation with finite difference derivatives to solve electronic Schrödinger equationSergei Manzhos, Tucker CarringtonThe Journal of Chemical Physics|July 14, 2007
Using redundant coordinates to represent potential energy surfaces with lower-dimensional functionsSergei Manzhos, Tucker CarringtonThe Journal of Chemical Physics|December 17, 2008
Using neural networks, optimized coordinates, and high-dimensional model representations to obtain a vinyl bromide potential surfaceSergei Manzhos, Tucker CarringtonThe Journal of Chemical Physics|December 18, 2016
Using an internal coordinate Gaussian basis and a space-fixed Cartesian coordinate kinetic energy operator to compute a vibrational spectrum with rectangular collocationSergei Manzhos, Tucker CarringtonThe Journal of Chemical Physics|November 30, 2006
Using neural networks to represent potential surfaces as sums of productsSergei Manzhos, Tucker CarringtonChemical Reviews|October 6, 2020
Neural Network Potential Energy Surfaces for Small Molecules and ReactionsSergei Manzhos, Tucker CarringtonThe Journal of Chemical Physics|September 13, 2006
A random-sampling high dimensional model representation neural network for building potential energy surfacesSergei Manzhos, Tucker CarringtonJournal of Chemical Theory and Computation|March 28, 2023
Using Collocation to Solve the Schrödinger EquationSergei Manzhos, Manabu Ihara, Tucker CarringtonPhysical Chemistry Chemical Physics : PCCP|March 15, 2013
Anharmonic vibrations of the carboxyl group in acetic acid on TiO2: implications for adsorption mode assignment in dye-sensitized solar cellsMatthew Chan, Tucker Carrington, Sergei ManzhosThe Journal of Chemical Physics|August 10, 2013
Communication: favorable dimensionality scaling of rectangular collocation with adaptable basis functions up to 7 dimensionsSergei Manzhos, Matthew Chan, Tucker CarringtonPageof 17