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 | 65 | 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 | 48 | 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 | 39 | 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 | 28 | 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 | 25 | 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 | 19 | 2021 |
Alkali silica reaction: A view from the nanoscale R Dupuis, RJM Pellenq Cement and Concrete Research 152, 106652, 2022 | 16 | 2022 |
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 | 15 | 2023 |
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 | 14 | 2020 |
Molecular simulation of silica gels: Formation, dilution, and drying R Dupuis, LK Béland, RJM Pellenq Physical Review Materials 3 (7), 075603, 2019 | 14 | 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 | 13 | 2017 |
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 | 9 | 2022 |
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 | 7 | 2018 |
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 | 6 | 2024 |
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 | 6 | 2022 |
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 | 4 | 2023 |
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 | 4 | 2013 |
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 | 1 | 2022 |
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 | 1 | 2021 |
Aluminium content in polymorphs of calcium silicate hydrate R Dupuis, J Moon, JS Dolado, H Manzano, P Monteiro, A Ayuela | | 2016 |