JCTC Early Career Board Selects
Authors:
- Hugh G. A. BurtonHBHugh G. A. Burton
- Sijia S. DongSDSijia S. Dong
- Soumen GhoshSGSoumen Ghosh
- Bing GuBGBing Gu
- Nicholas E. JacksonNJNicholas E. Jackson
- Daniel KeeferDKDaniel Keefer
- Yangyi LuYLYangyi Lu
- Jacob I. MonroeJMJacob I. Monroe
- Bo PengBPBo Peng
- Elisa PieriEPElisa Pieri
- Peter R. SpackmanPSPeter R. Spackman
- Morgane VacherMVMorgane Vacher
- 23 July 2024
- journal article
- editorial
- Published by American Chemical Society (ACS) in Journal of Chemical Theory and Computation
- Vol. 20 (14) , 5785-5787
Abstract
No abstract availableThis publication has 18 references indexed in Scilit:
- Resolution of Electronic States in Heisenberg Cluster Models within the Unitary Group ApproachJournal of Chemical Theory and Computation, 2023
- Nonadiabatic Wave Packet Dynamics with Ab Initio Cavity-Born-Oppenheimer Potential Energy SurfacesJournal of Chemical Theory and Computation, 2023
- Modeling Nonresonant X-ray Emission of Second- and Third-Period Elements without Core-Hole Reference States and Empirical ParametersJournal of Chemical Theory and Computation, 2022
- Fast Screening of Minimum Energy Crossing Points with Semiempirical Tight-Binding MethodsJournal of Chemical Theory and Computation, 2022
- Dual-Level Training of Gaussian Processes with Physically Inspired Priors for Geometry OptimizationsJournal of Chemical Theory and Computation, 2022
- Reduced Scaling of Optimal Regional Orbital Localization via Sequential Exhaustion of the Single-Particle SpaceJournal of Chemical Theory and Computation, 2022
- Conformational Sampling for Transition State Searches on a Computational BudgetJournal of Chemical Theory and Computation, 2022
- Analytical Nonadiabatic Couplings and Gradients within the State-Averaged Orbital-Optimized Variational Quantum EigensolverJournal of Chemical Theory and Computation, 2022
- Bridging the Experiment-Calculation Divide: Machine Learning Corrections to Redox Potential Calculations in Implicit and Explicit Solvent ModelsJournal of Chemical Theory and Computation, 2022
- Low-Rank Approximations Accelerated Plane-Wave Hybrid Functional Calculations with k-Point SamplingJournal of Chemical Theory and Computation, 2021