M. Matsumoto, S. Saito, and I. Ohmine, Molecular dynamics simulation of the ice nucleation and growth process leading to water freezing, Nature, vol.225, issue.6879, pp.409-413, 2002.
DOI : 10.1038/416409a

F. Benkabou, H. Aourag, and M. Certier, Atomistic study of zinc-blende CdS, CdSe, ZnS, and ZnSe from molecular dynamics, Materials Chemistry and Physics, vol.66, issue.1, pp.10-16, 2000.
DOI : 10.1016/S0254-0584(00)00239-X

W. A. Curtin and R. E. Miller, Atomistic/continuum coupling in computational materials science, Modelling and Simulation in Materials Science and Engineering, vol.11, issue.3, p.33, 2003.
DOI : 10.1088/0965-0393/11/3/201

S. Plimpton, Fast Parallel Algorithms for Short-Range Molecular Dynamics, Journal of Computational Physics, vol.117, issue.1, pp.1-19, 1995.
DOI : 10.1006/jcph.1995.1039

URL : http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.35.6047

D. Hamelberg, J. Mongan, and J. A. Mccammon, Accelerated molecular dynamics: A promising and efficient simulation method for biomolecules, The Journal of Chemical Physics, vol.23, issue.24, pp.11919-11929, 2004.
DOI : 10.2307/2346830

A. Laio and M. Parrinello, Escaping free-energy minima, Proceedings of the National Academy of Sciences, vol.6, issue.4598, pp.12562-12566, 2002.
DOI : 10.1126/science.220.4598.671

URL : http://www.ncbi.nlm.nih.gov/pmc/articles/PMC130499

E. Krieger and G. Vriend, New ways to boost molecular dynamics simulations, Journal of Computational Chemistry, vol.29, issue.Suppl 9, pp.996-1007, 2015.
DOI : 10.1002/(SICI)1097-0134(199712)29:4<417::AID-PROT2>3.0.CO;2-5

URL : http://onlinelibrary.wiley.com/doi/10.1002/jcc.23899/pdf

P. Larsson, B. Hess, and E. Lindahl, Algorithm improvements for molecular dynamics simulations, Wiley Interdisciplinary Reviews: Computational Molecular Science, vol.26, issue.4, pp.93-108, 2011.
DOI : 10.1002/jcc.20125

D. E. Shaw, M. M. Deneroff, R. O. Dror, J. S. Kuskin, R. H. Larson et al., Anton, a special-purpose machine for molecular dynamics simulation, Communications of the ACM, vol.51, issue.7, pp.91-97, 2008.
DOI : 10.1145/1364782.1364802

B. Garzn, S. Lago, and C. Vega, Reaction field simulations of the vapor-liquid equilibria of dipolar fluids, Chemical Physics Letters, vol.231, issue.4-6, pp.366-372, 1994.
DOI : 10.1016/0009-2614(94)01298-9

L. Greengard and V. Rokhlin, A fast algorithm for particle simulations, Journal of Computational Physics, vol.73, issue.2, pp.325-348, 1987.
DOI : 10.1016/0021-9991(87)90140-9

T. Darden, D. York, and L. Pedersen, ) method for Ewald sums in large systems, The Journal of Chemical Physics, vol.9, issue.12, pp.10089-10092, 1993.
DOI : 10.1126/science.2548279

D. Wolf, P. Keblinski, S. R. Phillpot, and J. Eggebrecht, Exact method for the simulation of Coulombic systems by spherically truncated, pairwise r???1 summation, The Journal of Chemical Physics, vol.152, issue.17, pp.8254-8282, 1999.
DOI : 10.1016/0013-4686(96)00046-1

S. Artemova and S. Redon, Adaptively Restrained Particle Simulations, Physical Review Letters, vol.109, issue.19, 2012.
DOI : 10.1063/1.461157

URL : https://hal.archives-ouvertes.fr/hal-00756121

S. Redon, G. Stoltz, and Z. Trstanova, Error Analysis of Modified Langevin Dynamics, Journal of Statistical Physics, vol.8, issue.8, pp.1-37, 2016.
DOI : 10.1063/1.455678

URL : https://hal.archives-ouvertes.fr/hal-01263700

Z. Trstanova and S. Redon, Estimating the speed-up of adaptively restrained Langevin dynamics, Journal of Computational Physics, vol.336, 2017.
DOI : 10.1016/j.jcp.2017.02.010

K. K. Singh and S. Redon, Adaptively restrained molecular dynamics in LAMMPS, Modelling and Simulation in Materials Science and Engineering, vol.25, issue.5, 2017.
DOI : 10.1088/1361-651X/aa7345

URL : https://hal.archives-ouvertes.fr/hal-01525253

P. Gonnet, A simple algorithm to accelerate the computation of non-bonded interactions in cell-based molecular dynamics simulations, Journal of Computational Chemistry, vol.4, issue.2, pp.570-573, 2007.
DOI : 10.1002/jcc.20563

G. Sutmann and V. Stegailov, Optimization of neighbor list techniques in liquid matter simulations, Journal of Molecular Liquids, vol.125, issue.2-3, pp.197-203, 2006.
DOI : 10.1016/j.molliq.2005.11.029

W. M. Brown, P. Wang, S. J. Plimpton, and A. N. Tharrington, Implementing molecular dynamics on hybrid high performance computers ??? short range forces, Computer Physics Communications, vol.182, issue.4, pp.898-911, 2011.
DOI : 10.1016/j.cpc.2010.12.021