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Journal of Chemical Theory and Computation|April 4, 2023
CHARMM-GUI Membrane Builder: Past, Current, and Future Developments and ApplicationsShasha Feng, Soohyung Park, Yeol Kyo Choi, et al.Journal of Chemical Theory and Computation|April 22, 2021
Partial Charges Optimized by Genetic Algorithms for Deep Eutectic Solvent SimulationsXiang Zhong, Caroline Velez, Orlando AcevedoJournal of Chemical Theory and Computation|March 31, 2023
Bootstrap Embedding on a Quantum ComputerYuan Liu, Oinam R Meitei, Zachary E Chin, et al.Journal of Chemical Theory and Computation|April 4, 2023
Scalable Bayesian Uncertainty Quantification for Neural Network Potentials: Promise and PitfallsStephan Thaler, Gregor Doehner, Julija ZavadlavJournal of Chemical Theory and Computation|March 29, 2021
Robust Approximation of Tensor Networks: Application to Grid-Free Tensor Factorization of the Coulomb InteractionKarl Pierce, Varun Rishi, Edward F ValeevJournal of Chemical Theory and Computation|August 14, 2020
Segmented Contracted Error-Consistent Basis Sets of Quadruple-ζ Valence Quality for One- and Two-Component Relativistic All-Electron CalculationsYannick J Franzke, Lucas Spiske, Patrik Pollak, et al.Journal of Chemical Theory and Computation|August 14, 2020
FCIQMC-Tailored Distinguishable Cluster ApproachEugenio Vitale, Ali Alavi, Daniel KatsJournal of Chemical Theory and Computation|April 5, 2021
Estimating the Directional Flexibility of Proteins from Equilibrium Thermal FluctuationsSanjoy Paul, Ravindra VenkatramaniJournal of Chemical Theory and Computation|April 5, 2021
Multiconfiguration Density-Coherence Functional TheoryDayou Zhang, Matthew R Hermes, Laura Gagliardi, et al.Journal of Chemical Theory and Computation|April 8, 2021
Power Laws Used to Extrapolate the Coupled Cluster Correlation Energy to the Thermodynamic LimitTina N Mihm, Bingdi Yang, James J ShepherdPageof 1,140