62. 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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64. 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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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. 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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68. Molecular Dynamics
Focuses on parallel molecular dynamics: algorithms, benchmark timings, codes and simulation results. Includes several article references.
http://www.cs.sandia.gov/~sjplimp/md.html
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69. 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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