| Large scale molecular dynamics simulation of self-assembly processes in short and long chain cationic surfactants JB Maillet, V Lachet, PV Coveney Physical Chemistry Chemical Physics 1 (23), 5277-5290, 1999 | 189 | 1999 |
| Machine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems P Gkeka, G Stoltz, A Barati Farimani, Z Belkacemi, M Ceriotti, JD Chodera, ... Journal of chemical theory and computation 16 (8), 4757-4775, 2020 | 160 | 2020 |
| Uniaxial Hugoniostat: A method for atomistic simulations of shocked materials JB Maillet, M Mareschal, L Soulard, R Ravelo, PS Lomdahl, TC Germann, ... Physical Review E 63 (1), 016121, 2000 | 145 | 2000 |
| Atomistic mechanism for hot spot initiation BL Holian, TC Germann, JB Maillet, CT White Physical review letters 89 (28), 285501, 2002 | 139 | 2002 |
| From molecular clusters to bulk matter. I. Structure and thermodynamics of small and clusters JB Maillet, A Boutin, S Buttefey, F Calvo, AH Fuchs The Journal of chemical physics 109 (1), 329-337, 1998 | 78 | 1998 |
| First-principles calculation of the melting curve and Hugoniot of tin S Bernard, JB Maillet Physical Review B 66 (1), 012103, 2002 | 59 | 2002 |
| Phase diagrams and isotopic effects of normal and deuterated water studied via x-ray diffraction up to 4.5 GPa and 500 K G Weck, J Eggert, P Loubeyre, N Desbiens, E Bourasseau, JB Maillet, ... Physical Review B 80 (18), 180202, 2009 | 57 | 2009 |
| Towards better efficiency of interatomic linear machine learning potentials AM Goryaeva, JB Maillet, MC Marinica Computational Materials Science 166, 200-209, 2019 | 50 | 2019 |
| Mesoscopic simulations of shock-to-detonation transition in reactive liquid high explosive JB Maillet, E Bourasseau, N Desbiens, G Vallverdu, G Stoltz Europhysics Letters 96 (6), 68007, 2011 | 48 | 2011 |
| Microscopic approaches to liquid nitromethane detonation properties A Hervouët, N Desbiens, E Bourasseau, JB Maillet The Journal of Physical Chemistry B 112 (16), 5070-5078, 2008 | 47 | 2008 |
| Molecular simulations of Hugoniots of detonation product mixtures at chemical equilibrium: Microscopic calculation of the Chapman-Jouguet state E Bourasseau, V Dubois, N Desbiens, JB Maillet The Journal of chemical physics 127 (8), 2007 | 46 | 2007 |
| Characteristics of energy exchange between inter-and intramolecular degrees of freedom in crystalline 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) with implications for … MP Kroonblawd, TD Sewell, JB Maillet The Journal of Chemical Physics 144 (6), 2016 | 44 | 2016 |
| Permutation-invariant distance between atomic configurations G Ferré, JB Maillet, G Stoltz The Journal of chemical physics 143 (10), 2015 | 41 | 2015 |
| A reduced model for shock and detonation waves. II. The reactive case JB Maillet, L Soulard, G Stoltz Europhysics Letters 78 (6), 68001, 2007 | 41 | 2007 |
| Irreversible deformation mechanisms for 1, 3, 5-triamino-2, 4, 6-trinitrobenzene single crystal through molecular dynamics simulations P Lafourcade, C Denoual, JB Maillet The Journal of Physical Chemistry C 122 (26), 14954-14964, 2018 | 40 | 2018 |
| From molecular clusters to bulk matter. II. Crossover from icosahedral to crystalline structures in clusters JB Maillet, A Boutin, AH Fuchs The Journal of chemical physics 111 (5), 2095-2102, 1999 | 38 | 1999 |
| Reinforcing materials modelling by encoding the structures of defects in crystalline solids into distortion scores AM Goryaeva, C Lapointe, C Dai, J Dérès, JB Maillet, MC Marinica Nature communications 11 (1), 4691, 2020 | 36 | 2020 |
| Lattice-gas simulations of ternary amphiphilic fluid flow in porous media PV Coveney, JB Maillet, JL Wilson, PW Fowler, O Al-Mushadani, ... International Journal of Modern Physics C 9 (08), 1479-1490, 1998 | 36 | 1998 |
| Thermodynamic Behavior of the CO2 + NO2/N2O4 Mixture: A Monte Carlo Simulation Study E Bourasseau, V Lachet, N Desbiens, JB Maillet, JM Teuler, P Ungerer The Journal of Physical Chemistry B 112 (49), 15783-15792, 2008 | 32 | 2008 |
| Numerical evidence of an embryonic orientational phase transition in small nitrogen clusters JB Maillet, A Boutin, AH Fuchs Physical review letters 76 (23), 4336, 1996 | 31 | 1996 |
Emeric BourasseauCEAVerified email at cea.fr
