Philippe H Hünenberger

20PUBLICATIONS
23CO-AUTHORS
Chemical thermodynamics and energeticsTheoretical quantum chemistryPharmacogenomicsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Statistical mechanics in chemistry
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Publications (20)

|Jul 13, 2026
Smoother Alchemical Transformations via Enveloping Distribution Sampling for Free-Energy Estimation.

|Dec 17, 2025
A Force Field Model for Actinyl Cations AnO22+ and AnO2+ (An = U, Np, Pu) Comparable with the AMOEBA Polarizable Force Field.

Miaoren Xia, Ziyi Liu, Qin Wang

|Jun 13, 2025
Solvation Free Energies of Ion Dissociations in Dichloromethane: En Route to Accurate Computations.

Adélaïde Savoy, Eno Paenurk, Robert Pollice

|May 14, 2024
Multistate Method to Efficiently Account for Tautomerism and Protonation in Alchemical Free-Energy Calculations.

Candide Champion, Philippe H Hünenberger, Sereina Riniker

|Dec 15, 2023
Simulation of aqueous solutes using the adaptive solvent-scaling (AdSoS) scheme.

Alžbeta Kubincová, Sereina Riniker, Philippe H Hünenberger

|Dec 09, 2023
Replica-Exchange Enveloping Distribution Sampling: Calculation of Relative Free Energies in GROMOS.

Salomé R Rieder, Benjamin Ries, Candide Champion

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Frequent Collaborators

10 joint publications

Sereina Riniker

5 joint publications

Benjamin Ries

5 joint publications

Salomé Rieder

4 joint publications

Candide Champion