David B Williams-Young
Affiliations: | Lawrence Berkeley National Laboratory, Berkeley, CA, USA |
Area:
Electronic Structure Theory, Quantum Chemistry, High Performance Computing, Numerical Linear AlgebraGoogle:
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Publications
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| Williams-Young DB, Yuwono SH, DePrince Iii AE, et al. (2023) Approximate Exponential Integrators for Time-Dependent Equation-of-Motion Coupled Cluster Theory. Journal of Chemical Theory and Computation |
| Di Felice R, Mayes ML, Richard RM, et al. (2023) A Perspective on Sustainable Computational Chemistry Software Development and Integration. Journal of Chemical Theory and Computation |
| Mejuto-Zaera C, Tzeli D, Williams-Young D, et al. (2022) The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for Iron-Sulfur Cubanes. Journal of Chemical Theory and Computation |
| Koulias LN, Williams-Young DB, Nascimento DR, et al. (2019) Relativistic Real-Time Time-Dependent Equation-of-Motion Coupled-Cluster. Journal of Chemical Theory and Computation |
| Sun S, Beck R, Williams-Young D, et al. (2019) Simulating Magnetic Circular Dichroism Spectra with Real-Time Time-Dependent Density Functional Theory in Gauge Including Atomic Orbitals. Journal of Chemical Theory and Computation |
| Hoyer CE, Williams-Young DB, Huang C, et al. (2019) Embedding non-collinear two-component electronic structure in a collinear quantum environment. The Journal of Chemical Physics. 150: 174114 |
| Peng B, Van Beeumen R, Williams-Young DB, et al. (2019) Approximate Green's Function Coupled Cluster Method Employing Effective Dimension Reduction. Journal of Chemical Theory and Computation |
| Sun S, Williams-Young D, Li X. (2019) An Ab Initio Linear Response Method for Computing Magnetic Circular Dichroism Spectra with Non-Perturbative Treatment of Magnetic Field. Journal of Chemical Theory and Computation |
| Sun S, Williams-Young DB, Stetina TF, et al. (2018) Generalized Hartree-Fock with a Non-perturbative Treatment of Strong Magnetic Fields: Application to Molecular Spin Phase Transitions. Journal of Chemical Theory and Computation |
| Kasper JM, Williams-Young DB, Vecharynski E, et al. (2018) A Well-Tempered Hybrid Method for Solving Challenging TDDFT Systems. Journal of Chemical Theory and Computation |