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PEOPLE: |
Contribution and Expertise |
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LBNL NERSC |
minimization algorithms Parallel data structure (FFTs) potential mixing methods |
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LBNL: Material Sciences; UC Berkeley Steven G. Louie's group: Marvin L. Cohen's group: |
major author and organizer 1996-2000
Perl library, stress, and much little stuff |
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Lab. de Minéralogie-Cristallographie de Paris Francesco Mauri Mickael Profeta |
NMR NMR |
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Universite de Montreal Michel Cote |
TD-DFT |
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University of Cambridge Jonathan Yates |
input interface & NMR C to F90 of input and relaxation & TD-DFT NMR |