화학공학소재연구정보센터
검색결과 : 3건
No. Article
1 Free Energy Calculations: An Efficient Adaptive Biasing Potential Method
Dickson BM, Legoll F, Lelievre T, Stoltz G, Fleurat-Lessard P
Journal of Physical Chemistry B, 114(17), 5823, 2010
2 High-order averaging schemes with error bounds for thermodynamical properties calculations by molecular dynamics simulations
Cances E, Castella F, Chartier P, Faou E, Le Bris C, Legoll F, Turinici G
Journal of Chemical Physics, 121(21), 10346, 2004
3 Designing reversible measure invariant algorithms with applications to molecular dynamics
Legoll F, Monneau R
Journal of Chemical Physics, 117(23), 10452, 2002