| Accelerating convergence to the thermodynamic limit with twist angle selection applied to methods beyond many-body perturbation theory TN Mihm, WZ Van Benschoten, JJ Shepherd The Journal of chemical physics 154 (2), 2021 | 10 | 2021 |
| The sign problem in density matrix quantum Monte Carlo HR Petras, WZ Van Benschoten, SK Ramadugu, JJ Shepherd Journal of chemical theory and computation 17 (10), 6036-6052, 2021 | 8 | 2021 |
| Sampling the reciprocal Coulomb potential in finite anisotropic cells T Schäfer, WZ Van Benschoten, JJ Shepherd, A Grüneis The Journal of Chemical Physics 160 (5), 2024 | 6 | 2024 |
| Dissociation energy of the HCN⋯ HF dimer TM Sexton, WZ Van Benschoten, GS Tschumper Chemical Physics Letters 748, 137382, 2020 | 6 | 2020 |
| CO adsorption on Pt (111) studied by periodic coupled cluster theory JP Carbone, A Irmler, A Gallo, T Schäfer, WZ Van Benschoten, ... Faraday Discussions 254, 586-597, 2024 | 2 | 2024 |
| Piecewise interaction picture density matrix quantum Monte Carlo WZ Van Benschoten, JJ Shepherd The Journal of chemical physics 156 (18), 2022 | 2 | 2022 |
| Electronic Free Energy Surface of the Nitrogen Dimer Using First-Principles Finite Temperature Electronic Structure Methods WZ Van Benschoten, HR Petras, JJ Shepherd The Journal of Physical Chemistry A 127 (32), 6842-6856, 2023 | 1 | 2023 |
| Electronic specific heat capacities and entropies from density matrix quantum Monte Carlo using Gaussian process regression to find gradients of noisy data WZ Van Benschoten, L Weiler, GJ Smith, S Man, T DeMello, JJ Shepherd The Journal of chemical physics 158 (21), 2023 | 1 | 2023 |
| Polymerization of Primary Amines with Sulfur Monochloride to Yield Red Polymers with a Conjugated SN Backbone A Paudel, EJ Campbell, WZ Van Benschoten, GW Otting, JJ Shepherd, ... Macromolecules 56 (10), 3721-3730, 2023 | 1 | 2023 |
| Dataset for “Piecewise Interaction Picture Density Matrix Quantum Monte Carlo” WZ Van Benschoten, JJ Shepherd University of Iowa, 2022 | 1 | 2022 |
| Dataset for: Electronic specific heat capacities and entropies from density matrix quantum Monte Carlo using Gaussian process regression to find gradients of noisy data WZ Van Benschoten, L Weiler, GJ Smith, S Man, T DeMello, JJ Shepherd University of Iowa, 2024 | | 2024 |
| Dataset for: Electronic free energy surface of the nitrogen dimer using first-principles finite temperature electronic structure methods JJ Shepherd, HR Petras, WZ Van Benschoten University of Iowa, 2024 | | 2024 |
| Removing Basis Set Incompleteness Error in Finite-Temperature Electronic Structure Calculations: Two-Electron Systems WZ Van Benschoten, JJ Shepherd The Journal of Physical Chemistry A 128 (49), 10659-10672, 2024 | | 2024 |
| First-principles characterization for the nitrogen dimer electronic free energy surface within the free-energy Born—Oppenheimer approximation. W Van Benschoten, H Petras, J Shepherd Bulletin of the American Physical Society, 2024 | | 2024 |
| Progress towards a more efficient denisty matrix quantum Monte Carlo method G Smith, W Van Benschoten, J Shepherd Bulletin of the American Physical Society, 2024 | | 2024 |
| Electronic temperature effects on the dissociation of diatomic molecules using density matrix quantum Monte Carlo H Petras, W Van Benschoten, E Landgreen, SK Ramadugu, J Shepherd APS March Meeting Abstracts 2022, K48. 005, 2022 | | 2022 |
| Electronic structure calculations at finite temperature using the piecewise interaction picture density matrix quantum Monte Carlo approach W Van Benschoten, J Shepherd APS March Meeting Abstracts 2022, B48. 011, 2022 | | 2022 |
| Dataset for “The sign problem in density matrix quantum Monte Carlo” HR Petras, WZ Van Benschoten, SK Ramadugu, JJ Shepherd University of Iowa, 2021 | | 2021 |
| Dataset for" Accelerating convergence to the thermodynamic limit with twist angle selection applied to methods beyond many-body perturbation theory” TN Mihm, WZ Van Benschoten, JJ Shepherd University of Iowa, 2021 | | 2021 |
| Electronic structure of dimers at finite temperature with density matrix quantum Monte Carlo H Petras, W Van Benschoten, J Shepherd APS March Meeting Abstracts 2021, F19. 012, 2021 | | 2021 |
