Valera Veryazov's presentations


Slides for a mini-workshop Lab instructions
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    Molcas 7: A program package for quantum chemists  and code developers CASPT2 Method: Current Limitations and Benchmarks Towards an [almost] black box RASSCF/RASPT2/SO-RASSI How does hardware development influence quantum chemistry? Quantum chemical study of tobermorite surface GPU/SSD hyper Files in memory GPU and numerical accuracy Constrained optomization Surface luscus IWOX Molcas8 CaO Cr2