Molecular dynamics simulation of processing using AFM pin toolYAN, Y. D; SUN, T; DONG, S et al.Applied surface science. 2006, Vol 252, Num 20, pp 7523-7531, issn 0169-4332, 9 p.Article

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Extension to the weighted histogram analysis method : combining umbrella sampling with free energy calculationsSOUAILLE, Marc; ROUX, Benoit.Computer physics communications. 2001, Vol 135, Num 1, pp 40-57, issn 0010-4655Article

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New approaches for molecular dynamics simulations with nonholonomic constraintsKUTTEH, R.Computer physics communications. 1999, Vol 119, Num 2-3, pp 159-168, issn 0010-4655Article

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Design sensitivity analysis of hyperelastic structures using a meshless methodGRINDEANU, I; CHANG, K.-H; CHRI, K. K et al.AIAA journal. 1998, Vol 36, Num 4, pp 618-627, issn 0001-1452Article

Modèles à vitesses discrètes pour le calcul d'écoulements hors équilibre cinétique = Discrete-velocity models for kinetic nonequilibrium flowsCHARRIER, P; DUBROCA, B; FEUGEAS, J.-L et al.Comptes rendus de l'Académie des sciences. Série 1, Mathématique. 1998, Vol 326, Num 11, pp 1347-1352, issn 0764-4442Article