Romain Dupuis

A report on ester interchange

H. J. Wright, J. B. Segur, H. V. Clark et al. · Journal of the American Oil Chemists Society · 1944 · 131 citations

Life Sciences, Chemical Engineering, Lipid Biochemistry +5

Fractionation of silicon isotopes in liquids: The importance of configurational disorder

Romain Dupuis, Magali Benoit, Élise Nardin et al. · Chemical Geology · 2015 · 69 citations

Natural Sciences, Chemistry, Physics +13

Machine learning potential for modelling H₂ adsorption/diffusion in MOFs with open metal sites

Shan-Ping Liu, Romain Dupuis, Dong Fan et al. · Chemical Science · 2024 · 69 citations · Full text

Natural Sciences, Chemistry, Materials Science +16

Importance of a Fully Anharmonic Treatment of Equilibrium Isotope Fractionation Properties of Dissolved Ionic Species As Evidenced by Li⁺(aq)

Romain Dupuis, Magali Benoit, Mark E. Tuckerman et al. · Accounts of Chemical Research · 2017 · 43 citations

Natural Sciences, Chemistry, Computational Chemistry +12

Efficient Calculation of Free Energy Differences Associated with Isotopic Substitution Using Path-Integral Molecular Dynamics

Ondřej Maršálek, Pei-Yang Chen, Romain Dupuis et al. · Journal of Chemical Theory and Computation · 2014 · 42 citations

Natural Sciences, Chemistry, Physics +17