Romain Dupuis
Romain Dupuis
CNRS / LMGC (Montpellier, France)
Verified email at - Homepage
Cited by
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Fractionation of silicon isotopes in liquids: The importance of configurational disorder
R Dupuis, M Benoit, E Nardin, M Méheut
Chemical Geology 396, 239-254, 2015
Efficient calculation of free energy differences associated with isotopic substitution using path-integral molecular dynamics
O Marsalek, PY Chen, R Dupuis, M Benoit, M Méheut, Z Bačić, ...
Journal of chemical theory and computation 10 (4), 1440-1453, 2014
Importance of a Fully Anharmonic Treatment of Equilibrium Isotope Fractionation Properties of Dissolved Ionic Species As Evidenced by Li+(aq)
R Dupuis, M Benoit, ME Tuckerman, M Méheut
Accounts of chemical research 50 (7), 1597-1605, 2017
Dissociation mechanisms of dissolved alkali silicates in sodium hydroxide
R Dupuis, R Pellenq, JB Champenois, A Poulesquen
The Journal of Physical Chemistry C 124 (15), 8288-8294, 2020
Doping as a way to protect silicate chains in calcium silicate hydrates
R Dupuis, JS Dolado, J Surga, A Ayuela
ACS sustainable chemistry & engineering 6 (11), 15015-15021, 2018
Normal and anomalous self-healing mechanism of crystalline calcium silicate hydrates
R Dupuis, J Moon, Y Jeong, R Taylor, SH Kang, H Manzano, A Ayuela, ...
Cement and Concrete Research 142, 106356, 2021
Alkali silica reaction: A view from the nanoscale
R Dupuis, RJM Pellenq
Cement and Concrete Research 152, 106652, 2022
Molecular simulation of silica gels: Formation, dilution, and drying
R Dupuis, LK Beland, RJM Pellenq
Physical Review Materials 3 (7), 075603, 2019
Quantum nuclear dynamics of protons within layered hydroxides at high pressure
R Dupuis, JS Dolado, M Benoit, J Surga, A Ayuela
Scientific reports 7 (1), 4842, 2017
Time resolved alkali silicate decondensation by sodium hydroxide solution
R Dupuis, DG Rodrigues, JB Champenois, RJM Pellenq, A Poulesquen
Journal of Physics: Materials 3 (1), 014012, 2020
Tracing polymerization in calcium silicate hydrates using Si isotopic fractionation
R Dupuis, JS Dolado, J Surga, A Ayuela
The Journal of Physical Chemistry C 122 (15), 8356-8363, 2018
A squarate-pillared titanium oxide quantum sieve towards practical hydrogen isotope separation
Q Yan, J Wang, L Zhang, J Liu, M Wahiduzzaman, N Yan, L Yu, R Dupuis, ...
Nature Communications 14 (1), 4189, 2023
How chemical defects influence the charging of nanoporous carbon supercapacitors
R Dupuis, PL Valdenaire, RJM Pellenq, K Ioannidou
Proceedings of the National Academy of Sciences 119 (17), e2121945119, 2022
Condensation and growth of amorphous aluminosilicate nanoparticles via an aggregation process
R Dupuis, SH Hahn, ACT van Duin, RJM Pellenq, A Poulesquen
Physical Chemistry Chemical Physics 24 (16), 9229-9235, 2022
Development of Monte-Carlo simulations for nano-patterning surfaces associated with MM-EPES analysis: Application to different Si (111) nanoporous surfaces
C Robert-Goumet, MA Mahjoub, G Monier, L Bideux, S Chelda, R Dupuis, ...
Surface science 618, 72-77, 2013
Selective Water Pore Recognition and Transport through Self-Assembled Alkyl-Ureido-Trianglamine Artificial Water Channels
IM Andrei, A Chaix, BT Benkhaled, R Dupuis, C Gomri, E Petit, ...
Journal of the American Chemical Society 145 (39), 21213-21221, 2023
Unravelling the pore network and gas dynamics in highly adaptive rubbery organic frameworks
R Dupuis, M Barboiu, G Maurin
Chemical Science 13 (18), 5141-5147, 2022
Machine learning potential for modelling H 2 adsorption/diffusion in MOFs with open metal sites
S Liu, R Dupuis, D Fan, S Benzaria, M Bonneau, P Bhatt, M Eddaoudi, ...
Chemical Science 15 (14), 5294-5302, 2024
Report: A Scientific Investigation into Concrete Pavement Durability
R Pellenq, M Bazant, A Dufresne, R Dupuis, J Gregory, K Ioannidou, ...
MIT Concrete Sustainability Hub, Oregon State University, University of New …, 2021
Aluminium content in polymorphs of calcium silicate hydrate
R Dupuis, J Moon, JS Dolado, H Manzano, P Monteiro, A Ayuela
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