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35 documents ordered by : Date Title first author name document type Submit date

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Free energy calculations: An efficient adaptive biasing potential method Dickson B. M., Legoll F., Lelievre T., Stoltz G., Fleurat-Lessard P. Journal of Physical Chemistry B 114, 17 (2010) 5823-5830 [hal-00431332 - version 1]

Reducing the thermal conductivity of carbon nanotubes below the random isotope limit Stoltz G., Mingo N., Mauri F. Physical Review B 80 (2009) 113408 [hal-00411573 - version 1]

Constant entropy sampling and release waves of shock compressions Maillet J.-B., Bourasseau E., Soulard L., Clerouin J., Stoltz G. Physical Review E: Statistical, Nonlinear, and Soft Matter Physics 80 (2009) 021135 [hal-00360631 - version 2]

Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi P., Baroni S., Bonini N., Calandra M., Car R., Cavazzoni C., Ceresoli D., Chiarotti G.L., Cococcioni M., Dabo I. et al [hal-00717147 - version 1] (12/07/2012)

Improving on computation of homogenized coefficients in the periodic and quasi-periodic settings Blanc X., Le Bris C. Research report (2009) 35 [inria-00387214 - version 1]

Sampling constraints in average: The example of Hugoniot curves Stoltz G., Maillet J.-B. Applied Mathematics Research eXpress (2009) Vol. 2008 : article ID abn004 [hal-00293145 - version 1]

The many-body Green function of degenerate systems Brouder C., Panati G., Stoltz G. Physical Review Letters 103, 23 (2009) 230401 [hal-00394238 - version 2]

Some improvements of the ART method for finding transition pathways on potential energy surfaces Cancès E., Legoll F., Marinica M.-C., Minoukadeh K., Willaime F. Journal of Chemical Physics 130 (2009) 114711 [hal-00407176 - version 1]

Adiabatic approximation, Gell-Mann and Low theorem and degeneracies: A pedagogical example Brouder C., Stoltz G., Panati G. Physical Review A 78, 4 (2008) 042102 [hal-00306471 - version 1]

Non-perturbative embedding of local defects in crystalline materials Cancès E., Deleurence A., Lewin M. J. Phys.: Condens. Matter 20 (2008) 294213 [hal-00152223 - version 2]