Communication: Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulations R Cortes-Huerto, K Kremer, R Potestio The Journal of chemical physics 145 (14), 141103, 2016 | 79 | 2016 |
Gold nanoparticle internal structure and symmetry probed by unified small-angle X-ray scattering and X-ray diffraction coupled with molecular dynamics analysis B Fleury, R Cortes-Huerto, O Taché, F Testard, N Menguy, O Spalla Nano letters 15 (9), 6088-6094, 2015 | 61 | 2015 |
Equilibrium shapes of supported silver clusters S Stankic, R Cortes-Huerto, N Crivat, D Demaille, J Goniakowski, J Jupille Nanoscale 5 (6), 2448-2453, 2013 | 36 | 2013 |
Fluctuations, finite-size effects and the thermodynamic limit in computer simulations: Revisiting the spatial block analysis method M Heidari, K Kremer, R Potestio, R Cortes-Huerto Entropy 20 (4), 222, 2018 | 33 | 2018 |
Spatially resolved thermodynamic integration: an efficient method to compute chemical potentials of dense fluids M Heidari, K Kremer, R Cortes-Huerto, R Potestio Journal of chemical theory and computation 14 (7), 3409-3417, 2018 | 32 | 2018 |
Why do elastin-like polypeptides possibly have different solvation behaviors in water–ethanol and water–urea mixtures? Y Zhao, MK Singh, K Kremer, R Cortes-Huerto, D Mukherji Macromolecules 53 (6), 2101-2110, 2020 | 29 | 2020 |
Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations M Heidari, R Cortes-Huerto, D Donadio, R Potestio The European Physical Journal Special Topics 225, 1505-1526, 2016 | 27 | 2016 |
The glass transition and the distribution of voids in room-temperature ionic liquids: A molecular dynamics study NC Forero-Martinez, R Cortes-Huerto, P Ballone The Journal of chemical physics 136 (20), 2012 | 23 | 2012 |
Twinned gold nanoparticles under growth: bipyramids shape controlled by environment ZC Canbek, R Cortes-Huerto, F Testard, O Spalla, S Moldovan, O Ersen, ... Crystal Growth & Design 15 (8), 3637-3644, 2015 | 22 | 2015 |
Finite-size integral equations in the theory of liquids and the thermodynamic limit in computer simulations M Heidari, K Kremer, R Potestio, R Cortes-Huerto Molecular Physics 116 (21-22), 3301-3310, 2018 | 21 | 2018 |
From adaptive resolution to molecular dynamics of open systems R Cortes-Huerto, M Praprotnik, K Kremer, L Delle Site The European Physical Journal B 94, 1-22, 2021 | 19 | 2021 |
An efficient many-body potential for the interaction of transition and noble metal nano-objects with an environment R Cortes-Huerto, J Goniakowski, C Noguera The Journal of Chemical Physics 138 (24), 2013 | 16 | 2013 |
Ab initio simulations of thermal decomposition and of electron transfer reactions in room temperature ionic liquids P Ballone, R Cortes-Huerto Faraday Discussions 154, 373-389, 2012 | 16 | 2012 |
Thermoresponsive ionic liquid/water mixtures: From nanostructuring to phase separation NC Forero-Martinez, R Cortes-Huerto, A Benedetto, P Ballone Molecules 27 (5), 1647, 2022 | 15 | 2022 |
Investigating the conformational ensembles of intrinsically disordered proteins with a simple physics-based model Y Zhao, R Cortes-Huerto, K Kremer, JF Rudzinski Biophysical Journal 118 (3), 58a, 2020 | 13 | 2020 |
Density-functional-theory approach to the Hamiltonian adaptive resolution simulation method LA Baptista, RC Dutta, M Sevilla, M Heidari, R Potestio, K Kremer, ... Journal of Physics: Condensed Matter 33 (18), 184003, 2021 | 11 | 2021 |
Concurrent coupling of realistic and ideal models of liquids and solids in Hamiltonian adaptive resolution simulations M Heidari, R Cortes-Huerto, K Kremer, R Potestio The European Physical Journal E 41, 1-11, 2018 | 11 | 2018 |
Connecting density fluctuations and Kirkwood–Buff integrals for finite-size systems M Sevilla, R Cortes-Huerto The Journal of Chemical Physics 156 (4), 2022 | 10 | 2022 |
Molecular dynamics simulations of the formation of 1D spin-valves from stretched Au-Co and Pt-Co nanowires R Cortes-Huerto, T Sondon, A Saul J. Phys.: Condens. Matter 26 (47), 474206, 2014 | 10 | 2014 |
Role of pH in the synthesis and growth of gold nanoparticles using L-asparagine: a combined experimental and simulation study R Báez-Cruz, LA Baptista, S Ntim, P Manidurai, S Espinoza, C Ramanan, ... Journal of Physics: Condensed Matter 33 (25), 254005, 2021 | 9 | 2021 |