David B. Williams‐Young
Lawrence Berkeley National Laboratory(US)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Parallel Computing and Optimization Techniques, Advanced NMR Techniques and Applications, Machine Learning in Materials Science
Most-Cited Works
- → The Chronus Quantum software package(2019)124 cited
- → From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape(2021)76 cited
- → An efficient implementation of two-component relativistic density functional theory with torque-free auxiliary variables(2018)63 cited
- → Relativistic Real-Time Time-Dependent Equation-of-Motion Coupled-Cluster(2019)62 cited
- → Generalized Hartree–Fock with Nonperturbative Treatment of Strong Magnetic Fields: Application to Molecular Spin Phase Transitions(2018)50 cited
- → Direct ab Initio (Meta-)Surface-Hopping Dynamics(2016)48 cited
- → Ab Initio Transient Vibrational Spectral Analysis(2016)46 cited
- → Accurate Assignments of Excited-State Resonance Raman Spectra: A Benchmark Study Combining Experiment and Theory(2017)41 cited
- → A Perspective on Sustainable Computational Chemistry Software Development and Integration(2023)40 cited
- → An ab Initio Linear Response Method for Computing Magnetic Circular Dichroism Spectra with Nonperturbative Treatment of Magnetic Field(2019)38 cited