J. Maillet

发表

Atomistic mechanism for hot spot initiation.

T. Germann, B. Holian, C. T. White, 2002, Physical review letters.

Microscopic calculations of Hugoniot curves of neat triaminotrinitrobenzene (TATB) and of its detonation products.

G. Stoltz, E. Bourasseau, N. Desbiens, 2011, The journal of physical chemistry. A.

Large scale molecular dynamics simulation of self-assembly processes in short and long chain cationic surfactants

P. V. Coveney, P. Coveney, V. Lachet, 1999 .

Simulations of detonation waves with smoothed dissipative particle dynamics

J. Maillet, G. Faure, 2017, 1709.03890.

Calculation of the shock temperature of moderately porous graphites

V. Dubois, E. Bourasseau, J. Maillet, 2016 .

Thermodynamic behavior of the CO2 + NO2/N2O4 mixture: a Monte Carlo simulation study.

P. Ungerer, E. Bourasseau, V. Lachet, 2008, The journal of physical chemistry. B.

Coupling microscopic and mesoscopic scales to simulate chemical equilibrium between a nanometric carbon cluster and detonation products fluid.

E. Bourasseau, J. Maillet, 2011, Physical chemistry chemical physics : PCCP.

Simulations of detonation waves with smoothed dissipative particle dynamics

J. Maillet, G. Faure, 2017, 1709.03890.

Large scale molecular dynamics simulation of self-assembly processes in short and long chain cationic surfactants

P. Coveney, V. Lachet, J. Maillet, 1999, cond-mat/9911013.

Theoretical study of the porosity effects on the shock response of graphitic materials

E. Bourasseau, L. Soulard, J. Maillet, 2015 .

On Sampling Minimum Energy Path.

A. Goryaeva, M. Marinica, J. Maillet, 2022, Journal of chemical theory and computation.

Lattice-Gas Simulations of Ternary Amphiphilic Fluid Flow in Porous Media

P. Coveney, B. Boghosian, J. Wilson, 1998, comp-gas/9810002.

Detection of plasticity mechanisms in molecular dynamics: Application to TATB single crystal

J. Maillet, C. Denoual, Paul Lafourcade, 2018 .

Molecular Simulations of Shock to Detonation Transition in Nitromethane

G. Stoltz, G. Vallverdu, N. Desbiens, 2011, 1107.3453.

Data-driven magneto-elastic predictions with scalable classical spin-lattice dynamics

M. Desjarlais, A. Thompson, M. Marinica, 2021, npj Computational Materials.

From molecular clusters to bulk matter. I. Structure and thermodynamics of small CO2, N2, and SF6 clusters

Jean-Bernard Maillet, Florent Calvo, Alain H. Fuchs, 1998 .

FROM MOLECULAR CLUSTERS TO BULK MATTER. II. CROSSOVER FROM ICOSAHEDRAL TO CRYSTALLINE STRUCTURES IN CO2 CLUSTERS

Jean-Bernard Maillet, Alain H. Fuchs, A. Fuchs, 1999 .

Molecular based equation of state for shocked liquid nitromethane.

E. Bourasseau, N. Desbiens, L. Soulard, 2009, Journal of hazardous materials.

The kinetics of heterogeneous nucleation and growth: an approach based on a grain explicit model

B. Rouet-Leduc, J. Maillet, C. Denoual, 2013, 1301.7456.

Data-driven magneto-elastic predictions with scalable classical spin-lattice dynamics

M. Desjarlais, A. Thompson, M. Marinica, 2021, npj Computational Materials.

Machine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems.

Fabio Pietrucci, Alexandre Tkatchenko, Andrew L. Ferguson, 2020, Journal of chemical theory and computation.

Ab initio simulations of thermodynamic and chemical properties of detonation product mixtures.

E. Bourasseau, J. Maillet, 2009, The Journal of chemical physics.

Microscopic approaches to liquid nitromethane detonation properties.

E. Bourasseau, N. Desbiens, J. Maillet, 2008, The journal of physical chemistry. B.

Towards better efficiency of interatomic linear machine learning potentials

Mihai-Cosmin Marinica, Alexandra M. Goryaeva, Jean-Bernard Maillet, 2019, Computational Materials Science.

Reinforcing materials modelling by encoding the structures of defects in crystalline solids into distortion scores

Mihai-Cosmin Marinica, Alexandra M Goryaeva, Jean-Bernard Maillet, 2020, Nature Communications.

Phase diagrams and isotopic effects of normal and deuterated water studied via x-ray diffraction up to 4.5 GPa and 500 K

E. Bourasseau, M. Mezouar, J. Eggert, 2009 .

Monte Carlo growth method: application to molecular clusters

P. Millié, V. Brenner, J. Maillet, 1997 .

Mesoscopic simulations of shock-to-detonation transition in reactive liquid high explosive

G. Stoltz, E. Bourasseau, G. Vallverdu, 2011 .

Elastic Anisotropy of 1,3,5‐Triamino‐2,4,6‐Trinitrobenzene as a Function of Temperature and Pressure: A Molecular Dynamics Study

J. Maillet, C. Denoual, N. Bruzy, 2022, Propellants, Explosives, Pyrotechnics.

Elastic instability in graphite single crystal under dynamic triaxial compression: Effect of strain-rate on the resulting microstructure

J. Maillet, C. Denoual, P. Lafourcade, 2020 .

Mesoscopic constitutive law with nonlinear elasticity and phase transformation for the twinning-buckling of TATB under dynamic loading

J. Maillet, C. Denoual, P. Lafourcade, 2019, Physical Review Materials.

Irreversible Deformation Mechanisms for 1,3,5-Triamino-2,4,6-Trinitrobenzene Single Crystal through Molecular Dynamics Simulations

J. Maillet, C. Denoual, P. Lafourcade, 2018, The Journal of Physical Chemistry C.

Dislocation Core Structure at Finite Temperature Inferred by Molecular Dynamics Simulations for 1,3,5-Triamino-2,4,6-trinitrobenzene Single Crystal

J. Maillet, C. Denoual, P. Lafourcade, 2017 .

Non-Equilibrium Molecular Dynamics Studies of Shock and Detonation Processes in Energetic Materials

T. Germann, B. Holian, A. Strachan, 2005 .

First-principles calculation of the melting curve and Hugoniot of tin

J. Maillet, S. Bernard, 2002 .

The Melting Phase Transition in Small Carbon Dioxide Clusters

A. Fuchs, J. Maillet, A. Boutin, 1997 .

New potential model for molecular dynamic simulation of liquid HF. I—Parameter optimization for charge equilibration method

E. Bourasseau, J. Maillet, P. Anglade, 2005 .

MOLECULAR DYNAMICS SIMULATIONS OF DETONATION IN DEFECTIVE EXPLOSIVE CRYSTALS

Niels Grønbech-Jensen, T. Germann, P. Lomdahl, 2002 .

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.

T. Sewell, J. Maillet, M. Kroonblawd, 2016, The Journal of chemical physics.

Permutation-invariant distance between atomic configurations.

G. Stoltz, J. Maillet, Grégoire Ferré, 2015, The Journal of chemical physics.

Molecular simulations of Hugoniots of detonation product mixtures at chemical equilibrium: microscopic calculation of the Chapman-Jouguet state.

V. Dubois, E. Bourasseau, N. Desbiens, 2007, The Journal of chemical physics.

Molecular dynamics simulations of nanocarbons at high pressure and temperature

E. Bourasseau, J. Maillet, N. Pineau, 2009 .

Uniaxial Hugoniostat: a method for atomistic simulations of shocked materials.

T. Germann, P. Lomdahl, B. Holian, 2000, Physical review. E, Statistical, nonlinear, and soft matter physics.

New potential model for molecular dynamic simulation of liquid HF. II – Parameter optimization for repulsion-dispersion potential

E. Bourasseau, V. Dubois, J. Maillet, 2007 .

Local density dependent potential for compressible mesoparticles.

G. Stoltz, J. Maillet, G. Faure, 2013, The Journal of chemical physics.

Sampling Constraints in Average: The Example of Hugoniot Curves

G. Stoltz, J. Maillet, 2008, 0807.0558.

Machine-Learning Based Potential For Iron: Plasticity and Phase Transition

Gábor Csányi, J. Maillet, C. Denoual, 2018 .

A reduced model for shock and detonation waves. II. The reactive case

L. Soulard, J. Maillet, G. Stoltz, 2007, cond-mat/0701496.

Erratum: Atomistic Mechanism for Hot Spot Initiation [Phys. Rev. Lett.PRLTAO0031-900789, 285501 (2002)]

T. Germann, B. Holian, C. T. White, 2003 .

Shock compression of diamond: Molecular dynamics simulations using different interatomic potentials

C. T. White, R. Perriot, J. Los, 2012 .

DFT simulations of CO2–HF mixture at extreme conditions: Thermodynamic and chemical properties

E. Bourasseau, J. Maillet, G. Jomard, 2011 .

Three-dimensional hydrodynamic lattice-gas simulations of binary immiscible and ternary amphiphilic flow through porous media.

P. Coveney, J. Maillet, P. Love, 2001, Physical review. E, Statistical, nonlinear, and soft matter physics.

Robust crystal structure identification at extreme conditions using a density-independent spectral descriptor and supervised learning

A. Goryaeva, M. Marinica, J. Maillet, 2023, 2307.01560.

Neighbors Map: an Efficient Atomic Descriptor for Structural Analysis

A. Goryaeva, M. Marinica, J. Maillet, 2023, 2307.00978.

Neighbors Map: An efficient atomic descriptor for structural analysis

A. Goryaeva, M. Marinica, J. Maillet, 2023, Computational Materials Science.

Capabilities and limits of autoencoders for extracting collective variables in atomistic materials science.

A. Goryaeva, M. Marinica, M. Nastar, 2022, Physical chemistry chemical physics : PCCP.

Structure and Dynamics of Simulated (SF6)N Clusters in the Size Range N=7-55

A. Fuchs, J. Maillet, A. Boutin, 1993 .

Robust crystal structure identification at extreme conditions using a density-independent spectral descriptor and supervised learning

A. Goryaeva, M. Marinica, J. Maillet, 2023, Computational Materials Science.

Machine learning accelerated random structure searching: Application to yttrium superhydrides.

M. Torrent, J. Maillet, G. Geneste, 2022, Journal of Chemical Physics.

Multiscale Reactive Model for 1,3,5-Triamino-2,4,6-trinitrobenzene Inferred by Reactive MD Simulations and Unsupervised Learning

A. Strachan, J. Maillet, P. Lafourcade, 2023, The Journal of Physical Chemistry C.

New Nonreactive Force Field for Accurate Molecular Dynamics Simulations of TATB at Extreme Conditions

J. Maillet, M. Kroonblawd, Tommy Sewell, 2024, Journal of Chemical & Engineering Data.

T. Sewell, J. Maillet, M. Kroonblawd, 2016, The Journal of chemical physics.