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Journal of Chemical Theory and Computation|December 5, 2023
Exploiting Locality in Full Configuration Interaction Quantum Monte Carlo for Fast Excitation GenerationOskar Weser, Ali Alavi, Giovanni Li Manni
Journal of the American Chemical Society|December 6, 2002
Catalytic role of gold in gold-based catalysts: a density functional theory study on the CO oxidation on goldZhi-Pan Liu, P Hu, Ali Alavi
Journal of Chemical Theory and Computation|February 14, 2020
Compression of Spin-Adapted Multiconfigurational Wave Functions in Exchange-Coupled Polynuclear Spin SystemsGiovanni Li Manni, Werner Dobrautz, Ali Alavi
Faraday Discussions|August 19, 2024
Permutation symmetry in spin-adapted many-body wave functionsMaru Song, Ali Alavi, Giovanni Li Manni
The Journal of Chemical Physics|May 7, 2022
Selected configuration interaction wave functions in phaseless auxiliary field quantum Monte CarloAnkit Mahajan, Joonho Lee, Sandeep Sharma
Journal of Clinical Monitoring and Computing|May 19, 2011
Metabolic monitors as a diagnostic toolTanvir Samra, Sandeep Sharma, Mridula Pawar
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