{"id":1191,"date":"2023-04-10T13:32:15","date_gmt":"2023-04-10T17:32:15","guid":{"rendered":"https:\/\/scholarblogs.emory.edu\/bowman\/?page_id=1191"},"modified":"2023-11-07T19:42:48","modified_gmt":"2023-11-08T00:42:48","slug":"publications-2023","status":"publish","type":"page","link":"https:\/\/scholarblogs.emory.edu\/bowman\/publications-2023\/","title":{"rendered":"Publications 2023"},"content":{"rendered":"\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
Diffusion Monte Carlo and PIMD calculations of radial distribution functions using an updated CCSD(T) potential for CH5<\/sub>+<\/sup><\/a>\n
C Qu, Q Yu, PL Houston, P Pandey, R Conte, A Nandi, JM Bowman<\/div>\n
Molecular Physics, e2262058<\/div>\n<\/td>\n
\u00a0<\/td>\n2023<\/span><\/td>\n<\/tr>\n
A Status Report on \u201cGold Standard\u201d Machine-Learned Potentials for Water<\/a>\n
Q Yu, C Qu, PL Houston, A Nandi, P Pandey, R Conte, JM Bowman<\/div>\n
The Journal of Physical Chemistry Letters 14 (36), 8077-8087<\/div>\n<\/td>\n
2<\/a><\/td>\n2023<\/span><\/td>\n<\/tr>\n
Machine learning classification can significantly reduce the cost of calculating the Hamiltonian matrix in CI calculations<\/a>\n
C Qu, PL Houston, Q Yu, R Conte, P Pandey, A Nandi, JM Bowman<\/div>\n
The Journal of Chemical Physics 159 (7)<\/div>\n<\/td>\n
\u00a0<\/td>\n2023<\/span><\/td>\n<\/tr>\n
Communication J Chem Phys: Machine Learning Classification can Significantly Reduce the Cost of Calculating the Hamiltonian Matrix in CI Calculations<\/a>\n
C Qu, P Houston, Q Yu, R Conte, P Pandey, A Nandi, J Bowman<\/div>\n
\u00a0<\/div>\n<\/td>\n
\u00a0<\/td>\n2023<\/span><\/td>\n<\/tr>\n
Manipulating hydrogen bond dissociation rates and mechanisms in water dimer through vibrational strong coupling<\/a>\n
Q Yu, JM Bowman<\/div>\n
Nature Communications 14 (1), 3527<\/div>\n<\/td>\n
2<\/a><\/td>\n2023<\/span><\/td>\n<\/tr>\n
Interfacing q-AQUA with a Polarizable Force Field: The Best of Both Worlds<\/a>\n
C Qu, Q Yu, PL Houston, R Conte, A Nandi, JM Bowman<\/div>\n
Journal of Chemical Theory and Computation<\/div>\n<\/td>\n
2<\/a><\/td>\n2023<\/span><\/td>\n<\/tr>\n
Following ultrafast Roaming Dissociation Dynamics with Coulomb Explosion Imaging<\/a>\n
T Endo, S Neville, P Lassonde, C Qu, H Fujise, M Fushitani, A Hishikawa, …<\/div>\n
CLEO: Fundamental Science, FTu4M. 1<\/div>\n<\/td>\n
\u00a0<\/td>\n2023<\/span><\/td>\n<\/tr>\n
Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a \u0394-Machine Learned CCSD (T) Potential: Theory and Experiment Shake Hands<\/a>\n
A Nandi, G Laude, SS Khire, ND Gurav, C Qu, R Conte, Q Yu, S Li, …<\/div>\n
Journal of the American Chemical Society 145 (17), 9655-9664<\/div>\n<\/td>\n
6<\/a><\/td>\n2023<\/span><\/td>\n<\/tr>\n
Interfacing q-AQUA with a Polarizable Force Field: The Best of Both Worlds<\/a>\n
J Bowman, Q Yu, C Qu, P Houston, R Conte, A Nandi<\/div>\n
\u00a0<\/div>\n<\/td>\n
\u00a0<\/td>\n2023<\/span><\/td>\n<\/tr>\n
Imaging and controlling ultrafast dissociation dynamics: from conventional to surprising paths<\/a>\n
T Endo, SP Neville, P Lassonde, C Qu, BE Schmidt, M Fushitani, …<\/div>\n
Ultrafast Phenomena and Nanophotonics XXVII 12419, 21-24<\/div>\n<\/td>\n
\u00a0<\/td>\n2023<\/span><\/td>\n<\/tr>\n
Tribute to Paul L. Houston<\/a>\n
JM Bowman, SH Kable, AG Suits<\/div>\n
The Journal of Physical Chemistry A 127 (9), 2068-2070<\/div>\n<\/td>\n
\u00a0<\/td>\n2023<\/span><\/td>\n<\/tr>\n
PESPIP: Software to fit complex molecular and many-body potential energy surfaces with permutationally invariant polynomials<\/a>\n
PL Houston, C Qu, Q Yu, R Conte, A Nandi, JK Li, JM Bowman<\/div>\n
The Journal of Chemical Physics 158 (4)<\/div>\n<\/td>\n
8<\/a><\/td>\n2023<\/span><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n","protected":false},"excerpt":{"rendered":"

Diffusion Monte Carlo and PIMD calculations of radial distribution functions using an updated CCSD(T) potential for CH5+ C Qu, Q Yu, PL Houston, P Pandey, R Conte, A Nandi, JM Bowman Molecular Physics, e2262058 \u00a0 2023 A Status Report on … Continue reading →<\/span><\/a><\/p>\n","protected":false},"author":2840,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-1191","page","type-page","status-publish","hentry"],"jetpack_sharing_enabled":true,"_links":{"self":[{"href":"https:\/\/scholarblogs.emory.edu\/bowman\/wp-json\/wp\/v2\/pages\/1191","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/scholarblogs.emory.edu\/bowman\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/scholarblogs.emory.edu\/bowman\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/scholarblogs.emory.edu\/bowman\/wp-json\/wp\/v2\/users\/2840"}],"replies":[{"embeddable":true,"href":"https:\/\/scholarblogs.emory.edu\/bowman\/wp-json\/wp\/v2\/comments?post=1191"}],"version-history":[{"count":16,"href":"https:\/\/scholarblogs.emory.edu\/bowman\/wp-json\/wp\/v2\/pages\/1191\/revisions"}],"predecessor-version":[{"id":1286,"href":"https:\/\/scholarblogs.emory.edu\/bowman\/wp-json\/wp\/v2\/pages\/1191\/revisions\/1286"}],"wp:attachment":[{"href":"https:\/\/scholarblogs.emory.edu\/bowman\/wp-json\/wp\/v2\/media?parent=1191"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}