B. Mennucci and F. Lipparini
University of Pisa
B. Mennucci and F. Lipparini
University of Pisa
Semiclassical Spectra of molecules in solution
F. Finocchi and S. Stankic
Sorbonne Université | UPMC
F. Finocchi and S. Stankic
Sorbonne Université | UPMC
Semiclassical Spectra of adsorbed molecules
D. Marx and M. Havenith
Ruhr-Universitaet Bochum
D. Marx and M. Havenith
Ruhr-Universitaet Bochum
Semiclassical Dynamics for spectroscopy
John Barker
University of Michigan
John Barker
University of Michigan
Development of the suite of code MultiWell for thermal rate calculations
A. Aspuru-Guzik
University of Toronto
A. Aspuru-Guzik
University of Toronto
Ab initio calculations for semiclassical dynamics
W. L. Hase
Texas Thech University
W. L. Hase
Texas Thech University
Implementation of ab initio semiclassical theories.
Y. Zhuang
Texas Thech University
Y. Zhuang
Texas Thech University
Hessian integrators for semiclassical molecular dynamics.
F. Grossmann
Technische Universitat Dresden
F. Grossmann
Technische Universitat Dresden
Development of semiclassical theories
D. Tamascelli
Università degli Studi di Milano
D. Tamascelli
Università degli Studi di Milano
GPU accelerated semiclassical molecular dynamics
L. Lo Presti
Università degli Studi di Milano
L. Lo Presti
Università degli Studi di Milano
Plane Wave (VASP, QE) and atom-centered (CRYSTAL) DFT calculations of doped TiO2
J. Schrier
Fordham University, USA
J. Schrier
Fordham University, USA
Helium Isotope Enrichment by Resonant Tunneling Through Nanoporous Graphene Bilayers