| 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
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2023 |
| A Status Report on “Gold Standard” Machine-Learned Potentials for Water
Q Yu, C Qu, PL Houston, A Nandi, P Pandey, R Conte, JM Bowman
The Journal of Physical Chemistry Letters 14 (36), 8077-8087
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2 |
2023 |
| Machine learning classification can significantly reduce the cost of calculating the Hamiltonian matrix in CI calculations
C Qu, PL Houston, Q Yu, R Conte, P Pandey, A Nandi, JM Bowman
The Journal of Chemical Physics 159 (7)
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2023 |
| Communication J Chem Phys: Machine Learning Classification can Significantly Reduce the Cost of Calculating the Hamiltonian Matrix in CI Calculations
C Qu, P Houston, Q Yu, R Conte, P Pandey, A Nandi, J Bowman
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2023 |
| Manipulating hydrogen bond dissociation rates and mechanisms in water dimer through vibrational strong coupling
Q Yu, JM Bowman
Nature Communications 14 (1), 3527
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2 |
2023 |
| Interfacing q-AQUA with a Polarizable Force Field: The Best of Both Worlds
C Qu, Q Yu, PL Houston, R Conte, A Nandi, JM Bowman
Journal of Chemical Theory and Computation
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2 |
2023 |
| Following ultrafast Roaming Dissociation Dynamics with Coulomb Explosion Imaging
T Endo, S Neville, P Lassonde, C Qu, H Fujise, M Fushitani, A Hishikawa, …
CLEO: Fundamental Science, FTu4M. 1
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2023 |
| Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a Δ-Machine Learned CCSD (T) Potential: Theory and Experiment Shake Hands
A Nandi, G Laude, SS Khire, ND Gurav, C Qu, R Conte, Q Yu, S Li, …
Journal of the American Chemical Society 145 (17), 9655-9664
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6 |
2023 |
| Interfacing q-AQUA with a Polarizable Force Field: The Best of Both Worlds
J Bowman, Q Yu, C Qu, P Houston, R Conte, A Nandi
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2023 |
| Imaging and controlling ultrafast dissociation dynamics: from conventional to surprising paths
T Endo, SP Neville, P Lassonde, C Qu, BE Schmidt, M Fushitani, …
Ultrafast Phenomena and Nanophotonics XXVII 12419, 21-24
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2023 |
| Tribute to Paul L. Houston
JM Bowman, SH Kable, AG Suits
The Journal of Physical Chemistry A 127 (9), 2068-2070
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2023 |
| PESPIP: Software to fit complex molecular and many-body potential energy surfaces with permutationally invariant polynomials
PL Houston, C Qu, Q Yu, R Conte, A Nandi, JK Li, JM Bowman
The Journal of Chemical Physics 158 (4)
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8 |
2023 |
