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The Journal of Physical Chemistry. A|November 15, 2023
Multireference Protonation Energetics of a Dimeric Model of Nitrogenase Iron-Sulfur ClustersHuanchen Zhai, Seunghoon Lee, Zhi-Hao Cui, et al.Physical Review Letters|November 19, 2013
Striped spin liquid crystal ground state instability of kagome antiferromagnetsBryan K Clark, Jesse M Kinder, Eric Neuscamman, et al.Journal of Chemical Theory and Computation|May 25, 2023
Hierarchical Clifford Transformations to Reduce Entanglement in Quantum Chemistry Wave FunctionsRyan V Mishmash, Tanvi P Gujarati, Mario Motta, et al.The Journal of Chemical Physics|June 24, 2020
Theoretical prediction of magnetic exchange coupling constants from broken-symmetry coupled cluster calculationsHenry F Schurkus, Garnet Kin-Lic Chan, Dian-Teng Chen, et al.The Journal of Chemical Physics|September 9, 2024
Benchmarking the exponential ansatz for the Holstein modelJunjie Yang, Zhi-Hao Cui, Ankit Mahajan, et al.Journal of Chemical Theory and Computation|January 27, 2022
Pure State <i>v</i>-Representability of Density Matrix Embedding TheoryFabian M Faulstich, Raehyun Kim, Zhi-Hao Cui, et al.Physical Review Letters|March 31, 2018
Quantum Simulation of Electronic Structure with Linear Depth and ConnectivityIan D Kivlichan, Jarrod McClean, Nathan Wiebe, et al.Journal of Chemical Theory and Computation|June 25, 2025
Exploring the Design Space of Machine Learning Models for Quantum Chemistry with a Fully Differentiable FrameworkDivya Suman, Jigyasa Nigam, Sandra Saade, et al.The Journal of Chemical Physics|September 13, 2024
Correlation functions from tensor network influence functionals: The case of the spin-boson modelHaimi Nguyen, Nathan Ng, Lachlan P Lindoy, et al.The Journal of Physical Chemistry Letters|November 19, 2025
Accurate Crystal Field Hamiltonians of Single-Ion Magnets at Mean-Field CostLinqing Peng, Shuanglong Liu, Xing Zhang, et al.Pageof 17