Mario Barbatti

Nonadiabatic dynamics with trajectory surface hopping method

Mario Barbatti · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 498 citations

Quantum Dynamic, Trajectory Surface Hopping, Engineering +19

The on-the-fly surface-hopping program system Newton-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems

Mario Barbatti, Giovanni Granucci, Maurizio Persico et al. · Journal of Photochemistry and Photobiology A Chemistry · 2006 · 496 citations

Engineering, Physics, Natural Sciences +8

Newton‐<scp>X</scp>: a surface‐hopping program for nonadiabatic molecular dynamics

Mario Barbatti, Matthias Ruckenbauer, Felix Plasser et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2013 · 493 citations · Full text

Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases

Mario Barbatti, Adélia J. A. Aquino, Jarosław J. Szymczak et al. · Proceedings of the National Academy of Sciences · 2010 · 441 citations · Full text

Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods

Xing Gao, Shuming Bai, Daniele Fazzi et al. · Journal of Chemical Theory and Computation · 2016 · 379 citations · Full text

Engineering, Magnetic Resonance, Computational Chemistry +18