Ashutosh Kumar

3PUBLICATIONS
37CO-AUTHORS
Theoretical quantum chemistryMechatronics hardware design and architecture
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Publications (3)

|Sep 06, 2020
Explicitly correlated coupled cluster method for accurate treatment of open-shell molecules with hundreds of atoms.

Ashutosh Kumar, Frank Neese, Edward F Valeev

|Aug 06, 2020
Massively Parallel Quantum Chemistry: A high-performance research platform for electronic structure.

Chong Peng, Cannada A Lewis, Xiao Wang

|May 17, 2020
Psi4 1.4: Open-source software for high-throughput quantum chemistry.

Daniel G A Smith, Lori A Burns, Andrew C Simmonett

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