Year |
Citation |
Score |
2017 |
Lafourcade P, Denoual C, Maillet J. Dislocation Core Structure at Finite Temperature Inferred by Molecular Dynamics Simulations for 1,3,5-Triamino-2,4,6-trinitrobenzene Single Crystal Journal of Physical Chemistry C. 121: 7442-7449. DOI: 10.1021/Acs.Jpcc.6B11576 |
0.4 |
|
2016 |
Faure G, Maillet JB, Roussel J, Stoltz G. Size consistency in smoothed dissipative particle dynamics. Physical Review. E. 94: 043305. PMID 27841494 DOI: 10.1103/Physreve.94.043305 |
0.385 |
|
2016 |
Kroonblawd MP, Sewell TD, Maillet JB. 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 coarse-grained simulations of shock waves in polyatomic molecular crystals. The Journal of Chemical Physics. 144: 064501. PMID 26874491 DOI: 10.1063/1.4941332 |
0.429 |
|
2016 |
Homman AA, Maillet JB, Roussel J, Stoltz G. New parallelizable schemes for integrating the Dissipative Particle Dynamics with Energy conservation. The Journal of Chemical Physics. 144: 024112. PMID 26772559 DOI: 10.1063/1.4937797 |
0.33 |
|
2014 |
Faure G, Maillet JB, Stoltz G. Local density dependent potential for compressible mesoparticles. The Journal of Chemical Physics. 140: 114105. PMID 24655170 DOI: 10.1063/1.4868547 |
0.314 |
|
2011 |
Bourasseau E, Maillet JB, Desbiens N, Stoltz G. Microscopic calculations of Hugoniot curves of neat triaminotrinitrobenzene (TATB) and of its detonation products. The Journal of Physical Chemistry. A. 115: 10729-37. PMID 21866905 DOI: 10.1021/Jp2047739 |
0.372 |
|
2011 |
Bourasseau E, Maillet JB. Coupling microscopic and mesoscopic scales to simulate chemical equilibrium between a nanometric carbon cluster and detonation products fluid. Physical Chemistry Chemical Physics : Pccp. 13: 7060-70. PMID 21394373 DOI: 10.1039/C0Cp02622K |
0.459 |
|
2011 |
Maillet J, Bourasseau E, Desbiens N, Vallverdu G, Stoltz G. Mesoscopic simulations of shock-to-detonation transition in reactive liquid high explosive Epl. 96: 68007. DOI: 10.1209/0295-5075/96/68007 |
0.365 |
|
2011 |
Maillet J, Bourasseau E, Jomard G. DFT simulations of CO2–HF mixture at extreme conditions: Thermodynamic and chemical properties Chemical Physics Letters. 507: 84-88. DOI: 10.1016/J.Cplett.2011.03.058 |
0.388 |
|
2009 |
Maillet JB, Bourasseau E, Soulard L, Clérouin J, Stoltz G. Constant entropy sampling and release waves of shock compressions. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 80: 021135. PMID 19792105 DOI: 10.1103/Physreve.80.021135 |
0.302 |
|
2009 |
Maillet JB, Bourasseau E. Ab initio simulations of thermodynamic and chemical properties of detonation product mixtures. The Journal of Chemical Physics. 131: 084107. PMID 19725608 DOI: 10.1063/1.3179671 |
0.42 |
|
2008 |
Bourasseau E, Lachet V, Desbiens N, Maillet JB, Teuler JM, Ungerer P. Thermodynamic behavior of the CO2 + NO2/N2O4 mixture: a Monte Carlo simulation study. The Journal of Physical Chemistry. B. 112: 15783-92. PMID 19367990 DOI: 10.1021/Jp8068255 |
0.671 |
|
2008 |
Maillet JB, Pineau N. Thermodynamic properties of benzene under shock conditions. The Journal of Chemical Physics. 128: 224502. PMID 18554024 DOI: 10.1063/1.2917335 |
0.507 |
|
2008 |
Hervouët A, Desbiens N, Bourasseau E, Maillet JB. Microscopic approaches to liquid nitromethane detonation properties. The Journal of Physical Chemistry. B. 112: 5070-8. PMID 18376884 DOI: 10.1021/Jp077250N |
0.42 |
|
2007 |
Desbiens N, Bourasseau E, Maillet J. Potential optimization for the calculation of shocked liquid nitromethane properties Molecular Simulation. 33: 1061-1070. DOI: 10.1080/08927020701589245 |
0.344 |
|
2007 |
Dubois V, Bourasseau E, Maillet JB. New potential model for molecular dynamic simulation of liquid HF. II - Parameter optimization for repulsion-dispersion potential Molecular Physics. 105: 125-135. DOI: 10.1080/00268970601148258 |
0.37 |
|
2005 |
Maillet J, Bourasseau E, Recoules V. Ab initio molecular dynamic study of liquid hydrogen fluorine under pressure Physical Review B. 72: 224103. DOI: 10.1103/Physrevb.72.224103 |
0.35 |
|
2001 |
Boghosian BM, Coveney PV, Love P, Maillet JB. Mesoscale Modeling of Amphiphilic Fluid Dynamics Molecular Simulation. 26: 85-100. DOI: 10.1080/08927020108024202 |
0.351 |
|
1999 |
Maillet J, Boutin A, Fuchs AH. From molecular clusters to bulk matter. II. Crossover from icosahedral to crystalline structures in CO2 clusters The Journal of Chemical Physics. 111: 2095-2102. DOI: 10.1063/1.479478 |
0.72 |
|
1998 |
Maillet J, Boutin A, Buttefey S, Calvo F, Fuchs AH. From molecular clusters to bulk matter. I. Structure and thermodynamics of small CO2, N2, and SF6 clusters The Journal of Chemical Physics. 109: 329-337. DOI: 10.1063/1.476509 |
0.729 |
|
1997 |
Maillet J, Boutin A, Fuchs AH. The Melting Phase Transition in Small Carbon Dioxide Clusters Molecular Simulation. 19: 285-299. DOI: 10.1080/08927029708024158 |
0.719 |
|
1996 |
Maillet J, Boutin A, Fuchs AH. Numerical evidence of an embryonic orientational phase transition in small nitrogen clusters. Physical Review Letters. 76: 4336-4339. PMID 10061264 DOI: 10.1103/Physrevlett.76.4336 |
0.669 |
|
1993 |
Boutin A, Maillet J, Fuchs AH. Structure and dynamics of simulated (SF6)N clusters in the size range N=7–55 The Journal of Chemical Physics. 99: 9944-9953. DOI: 10.1063/1.465393 |
0.718 |
|
Low-probability matches (unlikely to be authored by this person) |
2000 |
Love PJ, Maillet J, Coveney PV. Two-dimensional hydrodynamic lattice-gas simulations of binary immiscible and ternary amphiphilic fluid flow through porous media Physical Review E. 62: 2898-2913. PMID 11088774 DOI: 10.1103/Physreve.62.2898 |
0.292 |
|
2015 |
Ferré G, Maillet JB, Stoltz G. Permutation-invariant distance between atomic configurations. The Journal of Chemical Physics. 143: 104114. PMID 26374024 DOI: 10.1063/1.4930541 |
0.271 |
|
2009 |
Voltz C, Sollier A, Maillet J, Bouyer V. Isentropic Compression Driven By High‐Explosive: Application To Ti‐6Al‐4V Bulletin of the American Physical Society. 1195: 1143-1146. DOI: 10.1063/1.3295004 |
0.265 |
|
2003 |
Holian BL, Germann TC, Maillet J, White CT. Erratum: Atomistic Mechanism for Hot Spot Initiation [Phys. Rev. Lett.PRLTAO0031-900789, 285501 (2002)] Physical Review Letters. 90. DOI: 10.1103/Physrevlett.90.069902 |
0.259 |
|
2007 |
Bourasseau E, Dubois V, Desbiens N, Maillet JB. Molecular simulations of Hugoniots of detonation product mixtures at chemical equilibrium: microscopic calculation of the Chapman-Jouguet state. The Journal of Chemical Physics. 127: 084513. PMID 17764275 DOI: 10.1063/1.2766939 |
0.229 |
|
2022 |
Baima J, Goryaeva AM, Swinburne TD, Maillet JB, Nastar M, Marinica MC. Capabilities and limits of autoencoders for extracting collective variables in atomistic materials science. Physical Chemistry Chemical Physics : Pccp. PMID 36128869 DOI: 10.1039/d2cp01917e |
0.226 |
|
2009 |
Desbiens N, Bourasseau E, Maillet JB, Soulard L. Molecular based equation of state for shocked liquid nitromethane. Journal of Hazardous Materials. 166: 1120-6. PMID 19217711 DOI: 10.1016/J.Jhazmat.2008.12.083 |
0.214 |
|
2002 |
Holian BL, Germann TC, Maillet JB, White CT. Atomistic mechanism for hot spot initiation. Physical Review Letters. 89: 285501. PMID 12513155 |
0.176 |
|
2022 |
Ramil M, Boudier C, Goryaeva AM, Marinica MC, Maillet JB. On Sampling Minimum Energy Path. Journal of Chemical Theory and Computation. PMID 36073162 DOI: 10.1021/acs.jctc.2c00314 |
0.17 |
|
2020 |
Goryaeva AM, Lapointe C, Dai C, Dérès J, Maillet JB, Marinica MC. Reinforcing materials modelling by encoding the structures of defects in crystalline solids into distortion scores. Nature Communications. 11: 4691. PMID 32943615 DOI: 10.1038/s41467-020-18282-2 |
0.143 |
|
2020 |
Gkeka P, Stoltz G, Barati Farimani A, Belkacemi Z, Ceriotti M, Chodera JD, Dinner AR, Ferguson AL, Maillet JB, Minoux H, Peter C, Pietrucci F, Silveira A, Tkatchenko A, Trstanova Z, et al. Machine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems. Journal of Chemical Theory and Computation. PMID 32559068 DOI: 10.1021/Acs.Jctc.0C00355 |
0.129 |
|
2014 |
Rouet-Leduc B, Maillet J, Denoual C. The kinetics of heterogeneous nucleation and growth: an approach based on a grain explicit model Modelling and Simulation in Materials Science and Engineering. 22: 035018. DOI: 10.1088/0965-0393/22/3/035018 |
0.075 |
|
2019 |
Goryaeva AM, Maillet J, Marinica M. Towards better efficiency of interatomic linear machine learning potentials Computational Materials Science. 166: 200-209. DOI: 10.1016/J.COMMATSCI.2019.04.043 |
0.015 |
|
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