Research Associate
Publications
Quantum coherence in complex environments: general discussion.
– Faraday Discuss
(2020)
221,
168
(doi: 10.1039/C9FD90076D)
i-PI 2.0: A universal force engine for advanced molecular simulations
– Computer Physics Communications
(2019)
236,
214
(doi: 10.1016/j.cpc.2018.09.020)
Elucidating the Nuclear Quantum Dynamics of Intramolecular Double Hydrogen Transfer in Porphycene
– J Am Chem Soc
(2019)
141,
2526
(doi: 10.1021/jacs.8b12471)
Elucidating the NuclearQuantum Dynamics of Intramolecular Double
Hydrogen Transfer in Porphycene
(2018)
Photophysics of Xanthene Dyes at High Concentrations in Solid Environments: Charge Transfer Assisted Triplet Formation.
– Photochemistry and photobiology
(2018)
94,
865
(doi: 10.1111/php.12978)
Quantum tunneling in real space: Tautomerization of single porphycene molecules on the (111) surface of Cu, Ag, and Au
– J Chem Phys
(2017)
148,
102330
(doi: 10.1063/1.5004602)
Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature.
– The Journal of chemical physics
(2017)
148,
102320
(doi: 10.1063/1.5002537)
Decisive role of nuclear quantum effects on surface mediated water
dissociation at finite temperature
(2017)
Positional Isotope Exchange in HX•(H2O)n (X = F, I) Clusters at Low Temperatures
– The journal of physical chemistry. A
(2016)
120,
7213
(doi: 10.1021/acs.jpca.6b06681)
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