Results 231 to 240 of about 71,384 (267)
Some of the next articles are maybe not open access.
2016
I will describe some of our recent progress and results in some long-standing challenges of quantum chemistry: the electronic structure of iron-sulfur clusters, excited states of conjugated systems, and the prediction of molecular crystal binding energies.
Chan, GKL, Sharma, S, Yang, J, Watson, M
openaire +1 more source
I will describe some of our recent progress and results in some long-standing challenges of quantum chemistry: the electronic structure of iron-sulfur clusters, excited states of conjugated systems, and the prediction of molecular crystal binding energies.
Chan, GKL, Sharma, S, Yang, J, Watson, M
openaire +1 more source
Many-Body Quantum Chemistry on Massively Parallel Computers
Chemical Reviews, 2021Chong Peng, Varun Rishi, Ashutosh Kumar
exaly
Understanding Polaritonic Chemistry from Ab Initio Quantum Electrodynamics
Chemical Reviews, 2023Michael Ruggenthaler +2 more
exaly
MONTE CARLO METHODS IN AB INITIO QUANTUM CHEMISTRY
1994B L Hammond, W A Lester, Jr.
openaire +1 more source
Ab initio quantum chemistry with neural-network wavefunctions
Nature Reviews Chemistry, 2023Jan Hermann +2 more
exaly
Monte Carlo Methods in Ab Initio Quantum Chemistry
Zeitschrift für Physikalische Chemie, 1995openaire +1 more source
Quantum Chemistry Calculations for Metabolomics
Chemical Reviews, 2021Ricardo M Borges +2 more
exaly