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Physical Chemistry Chemical Physics : PCCP|September 21, 2022
Harnessing deep reinforcement learning to construct time-dependent optimal fields for quantum control dynamicsYuanqi Gao, Xian Wang, Nanpeng Yu, et al.Journal of Chemical Theory and Computation|July 6, 2017
Real-Time Quantum Dynamics of Long-Range Electronic Excitation Transfer in Plasmonic NanoantennasNiranjan V Ilawe, M Belén Oviedo, Bryan M WongThe Journal of Physical Chemistry Letters|June 10, 2016
Unusual Bandgap Oscillations in Template-Directed π-Conjugated Porphyrin NanotubesSarah I Allec, Niranjan V Ilawe, Bryan M WongIndustrial & Engineering Chemistry Research|October 6, 2023
FLUID-GPT (Fast Learning to Understand and Investigate Dynamics with a Generative Pre-Trained Transformer): Efficient Predictions of Particle Trajectories and ErosionSteve D Yang, Zulfikhar A Ali, Bryan M WongJournal of Chemical Theory and Computation|March 25, 2017
Accurate Electron Affinities and Orbital Energies of Anions from a Nonempirically Tuned Range-Separated Density Functional Theory ApproachLindsey N Anderson, M Belén Oviedo, Bryan M WongThe Journal of Chemical Physics|January 18, 2006
Analytical calculations of molecular integrals for multielectron R-matrix methodsBryan M Wong, Serhan N Altunata, Robert W FieldJournal of Chemical Theory and Computation|November 18, 2015
Breaking Badly: DFT-D2 Gives Sizeable Errors for Tensile Strengths in Palladium-Hydride SolidsNiranjan V Ilawe, Jonathan A Zimmerman, Bryan M WongChemical Communications (Cambridge, England)|December 22, 2025
Iron cluster encapsulated N-doped single-walled carbon nanotubes as ORR electrocatalysts: a first-principles studyYuqing Fu, Chengi Hung, Bryan M Wong, et al.Journal of Chemical Theory and Computation|June 23, 2016
Polarizabilities of π-Conjugated Chains Revisited: Improved Results from Broken-Symmetry Range-Separated DFT and New CCSD(T) BenchmarksM Belén Oviedo, Niranjan V Ilawe, Bryan M WongThe Journal of Chemical Physics|May 23, 2016
Large-scale atomistic simulations of helium-3 bubble growth in complex palladium alloysLucas M Hale, Jonathan A Zimmerman, Bryan M WongPageof 15