Dissemination
Lecture notes
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Les méthodes numériques de la dynamique moléculaire | |
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分 子动力学 - 观察运动中的物体 | |
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Numerical methods for molecular dynamics | |
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Métodos numéricos en dinà mica molecular |
Tutorials
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- Free-energy perturbation calculations - Adaptive biasing force calculations |
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- Building and editing molecules |
Books
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New Algorithms for Macromolecular Simulation
(Lecture Notes in Computational Science & Engineering). Leimkuhler, B.; Chipot, C.; Elber, R.; Laaksonen, A.; Mark, A.; Schlick, T.; Schütte, C.; Skeel, R. editors. Springer-Verlag, Berlin and Heidelberg. |
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Free Energy Calculations: Theory and Applications in Chemistry and Biology
(Springer Series in Chemical Physics). C. Chipot and A. Pohorille, editors. Springer-Verlag, Berlin and Heidelberg. |
