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The Journal of Chemical Physics|July 9, 2021
Stochastic density functional theory: Real- and energy-space fragmentation for noise reductionMing Chen, Roi Baer, Daniel Neuhauser, et al.The Journal of Chemical Physics|June 25, 2010
A time-dependent semiempirical approach to determining excited statesLizette A Bartell, Michael R Wall, Daniel NeuhauserThe Journal of Chemical Physics|May 3, 2020
Efficient Langevin dynamics for "noisy" forcesEitam Arnon, Eran Rabani, Daniel Neuhauser, et al.The Journal of Chemical Physics|January 24, 2015
Sublinear scaling for time-dependent stochastic density functional theoryYi Gao, Daniel Neuhauser, Roi Baer, et al.Faraday Discussions|September 19, 2018
Effects of symmetry breaking on the translation-rotation eigenstates of HZlatko Bačić, Vojtěch Vlček, Daniel Neuhauser, et al.Magnetic Resonance in Chemistry : MRC|October 4, 2021
Effect of the chemical structure of a tetradentate equatorial ligand on the spin-crossover properties of the Fe (III) complexes chain structures: Electron paramagnetic resonance studyOlga A Turanova, Elena N Frolova, Linar G Gafiyatullin, et al.The Journal of Physical Chemistry. B|December 4, 2008
Structures and electronic spectra of CdSe-Cys complexes: density functional theory study of a simple peptide-coated nanoclusterSang-Yoon Chung, Sungyul Lee, Christopher Liu, et al.Journal of Chemical Theory and Computation|August 20, 2025
Mixed Planewave and Localized Orbital Basis for Sparse-Stochastic Hybrid Time-Dependent Density Functional TheoryKyle Chen, Barry Y Li, Tucker Allen, et al.Journal of Chemical Theory and Computation|December 5, 2023
Deterministic/Fragmented-Stochastic Exchange for Large-Scale Hybrid DFT CalculationsNadine C Bradbury, Tucker Allen, Minh Nguyen, et al.The Journal of Chemical Physics|November 10, 2019
Stochastic embedding DFT: Theory and application to p-nitroaniline in waterWenfei Li, Ming Chen, Eran Rabani, et al.Pageof 11