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Journal of Computational Chemistry|April 18, 2024
"On-the-fly" : How to reliably and automatically characterize and construct potential energy surfacesMahdi Aarabi, Ankit Pandey, Bill PoirierThe Journal of Chemical Physics|July 6, 2019
Using phase-space Gaussians to compute the vibrational states of OCHCOAnkit Pandey, Bill PoirierThe Journal of Physical Chemistry Letters|July 21, 2020
Plumbing Potentials for Molecules with Up To Tens of Atoms: How to Find Saddle Points and Fix Leaky HolesAnkit Pandey, Bill PoirierThe Journal of Physical Chemistry. A|July 26, 2023
Quantum Dynamical Investigation of Dihydrogen-Hydride Exchange in a Transition-Metal Polyhydride ComplexMahdi Aarabi, János Sarka, Ankit Pandey, et al.The Journal of Chemical Physics|June 8, 2020
An algorithm to find (and plug) "holes" in multi-dimensional surfacesAnkit Pandey, Bill PoirierJournal of Chemical Theory and Computation|May 22, 2024
Development of Parallel On-the-Fly Algorithm for Global Exploration of Conical Intersection Seam SpaceAnkit Pandey, Bill Poirier, Ruibin LiangJournal of Chemical Theory and Computation|May 1, 2025
Development of Parallel On-the-Fly Crystal Algorithm for Reaction Discovery in Large and Complex Molecular SystemsAnkit Pandey, Gustavo J Costa, Mushfiq Alam, et al.The Journal of Chemical Physics|August 31, 2004
Reconciling semiclassical and Bohmian mechanics. I. Stationary statesBill PoirierThe Journal of Chemical Physics|December 3, 2008
Reconciling semiclassical and Bohmian mechanics. VI. Multidimensional dynamicsBill PoirierThe Journal of Chemical Physics|September 17, 2015
Communication: The H2@C60 inelastic neutron scattering selection rule: Expanded and explainedBill PoirierPageof 7