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The Journal of Chemical Physics|September 8, 2022
Near-exact nuclear gradients of complete active space self-consistent field wave functionsJames E T Smith, Joonho Lee, Sandeep SharmaSensors (Basel, Switzerland)|February 27, 2026
Adaptive Multiple-Attribute Scenario LoRA Merge for Robust Perception in Autonomous DrivingRyosuke Kawata, Joonho Lee, Yanlei Gu, et al.Journal of Chemical Theory and Computation|April 15, 2020
Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C36 Fullerene and an Iron Porphyrin Model ComplexJoonho Lee, Fionn D Malone, Miguel A MoralesJournal of Chemical Theory and Computation|June 6, 2024
Stochastic Resolution of Identity to CC2 for Large Systems: Excited State PropertiesChongxiao Zhao, Qi Ou, Joonho Lee, et al.The Journal of Chemical Physics|January 3, 2019
Open-shell coupled-cluster valence-bond theory augmented with an independent amplitude approximation for three-pair correlations: Application to a model oxygen-evolving complex and single molecular magnetJoonho Lee, David W Small, Martin Head-GordonThe Journal of Chemical Physics|November 24, 2019
Making many-body interactions nearly pairwise additive: The polarized many-body expansion approachSrimukh Prasad Veccham, Joonho Lee, Martin Head-GordonNature Communications|April 7, 2023
Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistrySeunghoon Lee, Joonho Lee, Huanchen Zhai, et al.PRX Quantum : a Physical Review Journal|January 10, 2023
Quantum computation of molecular structure using data from challenging-to-classically-simulate nuclear magnetic resonance experimentsThomas E O'Brien, Lev B Ioffe, Yuan Su, et al.Nature Communications|August 12, 2025
Addendum: Unified framework for open quantum dynamics with memoryRuojing Peng, Felix Ivander, Lachlan P Lindoy, et al.The Journal of Chemical Physics|February 6, 2026
Efficient all-electron periodic Fourier-transformed Coulomb methodHieu Q Dinh, Adam Rettig, Xintian Feng, et al.Pageof 20