المؤلفون: Apurba Nandi (2869835), Chen Qu (343012), Paul L. Houston (1271298), Riccardo Conte (1373322), Qi Yu (279662), Joel M. Bowman (1268934)

مصطلحات موضوعية: Biophysics, Biochemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, significantly faster using, ab initio <, md water simulation, total interaction energy, pes goes rigorously, 5 , benchmark ccsd ­(, b interaction energies, ccsd ­(, b energies, water clusters, tetramer direct, single core, pol potential, pip basis, parallel version, new pes, learned pes, larger clusters, hexamer calculated, dynamics calculations, calculations find, better agreement, 300 k, 2119 symmetry

Relation: https://figshare.com/articles/journal_contribution/A_CCSD_T_-Based_4_Body_Potential_for_Water/16828268

الاتاحة: https://doi.org/10.1021/acs.jpclett.1c03152.s001