75 citations · 268 across the 18 of their papers we have counts for
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Topologically correct quantum nonadiabatic formalism for on-the-fly dynamics
Loic Joubert-Doriol, Janakan Sivasubramanium, Ilya G. Ryabinkin +1
On-the-fly quantum nonadiabatic dynamics for large systems greatly benefits from the adiabatic representation readily available from the electronic structure programs. However, fre…
A diabatic definition of geometric phase effects
Artur F. Izmaylov, Jiaru Li, Loic Joubert-Doriol
Electronic wave-functions in the adiabatic representation acquire nontrivial geometric phases (GPs) when corresponding potential energy surfaces undergo conical intersection (CI).…
Nuclear dynamics investigation of the initial electron transfer in the cyclobutane pyrimidine dimer lesion repair process by photolyases
Loic Joubert-Doriol, Tatiana Domratcheva, Massimo Olivucci +1
Photolyases are proteins capable of harvesting the sunlight to repair DNA damages caused by UV light. In this work we focus on the first step in the repair process of the cyclobuta…