61. Siepmann, J. Ilja
Monte Carlo simulations of condensed phases and molecular assemblies; studies of phase equilbria (University of Minnesota).
http://www.chem.umn.edu/groups/siepmann/
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Rating: [0.00] Votes: [0] Hits: [167] | May 7, 2006 |
62. The MD Group
The MD Group is concerned with molecular and mesoscopic dynamics simulation studies of complex biomolecular systems such as biopolymers and lipid aggregates.
http://md.chem.rug.nl/
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64. Semiempirical Methods
An overview of the theory, equations, and performance of the methods based on neglect of differential overlap, with emphasis on AM1, MNDO, and PM3.
http://www.cup.uni-muenchen.de/oc/zipse/lv18099/semi1.html
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65. Molecular Modeling for Organic Chemistry
Summary of lecture course which aims to introduce the hierarchy of computational modeling methods used in Organic Chemistry. Links to background and supplemental information.
http://origin.ch.ic.ac.uk/local/organic/mod/
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66. Metropolis Monte Carlo Simulation
A description of the algorithm proposed by Metropolis, Rosenbluth, Rosenbluth, Teller, and Teller for computing the thermally averaged properties of a system.
http://members.aol.com/btluke/metro01.htm
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67. Chihaia, Viorel
Atomic scale simulation through Hartree-Fock and density functional theories. Curriculum vitae, projects, publications, and software.
http://vchihaia.tripod.com
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68. Molecular Dynamics
Includes an extensive tutorial, with sample programs in Fortran 90, and links to software packages.
http://www.fisica.uniud.it/~ercolessi/md/
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69. Kosloff, Ronnie
Quantum molecular dynamics with a particular focus on coherent control and photochemistry in condensed phases (Hebrew University, Jerusalem).
http://www.fh.huji.ac.il/members/Kosloff/
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Rating: [0.00] Votes: [0] Hits: [157] | May 7, 2006 |
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