Simon Huppert

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 5

Top Topics

Density Functional Theory

Single Molecule

Top Venues

The journal of physical chemistry letters

Physical chemistry chemical physics : PCCP

The Journal of chemical physics

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Federica Angiolari, Simon Huppert, Fabio Pietrucci, Riccardo Spezia
Environmental and Nuclear Quantum Effects on Double Proton Transfer in the Guanine-Cytosine Base Pair. The journal of physical chemistry letters (2023)
Federica Angiolari, Simon Huppert, Riccardo Spezia
Quantum versus classical unimolecular fragmentation rate constants and activation energies at finite temperature from direct dynamics simulations. Physical chemistry chemical physics : PCCP (2022)
Nastasia Mauger, Thomas Plé, Louis Lagardère, Sara Bonella, Étienne Mangaud, Jean-Philip Piquemal, Simon Huppert
Nuclear Quantum Effects in Liquid Water at Near Classical Computational Cost Using the Adaptive Quantum Thermal Bath. The journal of physical chemistry letters 12 (34) (2021)
Thomas Plé, Simon Huppert, Fabio Finocchi, Philippe Depondt, Sara Bonella
Sampling the thermal Wigner density via a generalized Langevin dynamics. The Journal of chemical physics 151 (11) (2019)
Etienne Mangaud, Simon Huppert, Thomas Plé, Philippe Depondt, Sara Bonella, Fabio Finocchi
The Fluctuation-Dissipation Theorem as a Diagnosis and Cure for Zero-Point Energy Leakage in Quantum Thermal Bath Simulations. Journal of chemical theory and computation 15 (5) (2019)