| An Expressway towards Heaven: High-Throughput Hybrid Density Functional Theory for Complex Condensed-Phase Systems Containing Thousands of Atoms using SeA HY Ko, M Calegari Andrade, Z Sparrow, J Zhang, R Distasio Bulletin of the American Physical Society, 2024 | | 2024 |
| Machine learning molecular conformational energies using semi-local density fingerprints Y Yang, Z Sparrow, B Ernst, T Quady, Z Shen, R Kang, J Lee, Y Yang, ... Bulletin of the American Physical Society, 2024 | | 2024 |
| Uniting non-empirical and empirical density functional approximation strategies with the constrained and smoothed empirical (CASE) framework Z Sparrow, B Ernst, T Quady, R Distasio Bulletin of the American Physical Society, 2024 | | 2024 |
| High-Throughput Condensed-Phase Hybrid Density Functional Theory for Large-Scale Finite-Gap Systems: The SeA Approach HY Ko, MF Calegari Andrade, ZM Sparrow, J Zhang, RA DiStasio Jr Journal of Chemical Theory and Computation 19 (13), 4182-4201, 2023 | 4 | 2023 |
| Improving the Accuracy, Transferability, and Efficiency of Hybrid Density Functional Theory ZM Sparrow Cornell University, 2023 | | 2023 |
| Uniting nonempirical and empirical density functional approximation strategies using constraint-based regularization ZM Sparrow, BG Ernst, TK Quady, RA DiStasio Jr The Journal of Physical Chemistry Letters 13 (30), 6896-6904, 2022 | 6 | 2022 |
| Integrated photoelectrochemical energy storage cells prepared by benchtop ion soft landing V Prabhakaran, J Romo, A Bhattarai, K George, ZM Norberg, D Kalb, ... Chemical Communications 58 (65), 9060-9063, 2022 | 4 | 2022 |
| Fueling a Data-Driven Machine Learning Model for H3O+ and OH- Transport through Confined Aqueous Environments: A High-Throughput Order-N Framework … HY Ko, M Calegari Andrade, Z Sparrow, B Ernst, J Harris, R Distasio APS March Meeting Abstracts 2022, B48. 002, 2022 | | 2022 |
| Semi-Local Density Fingerprints for Machine Learning Molecular Properties, Intra-/Inter-molecular Interactions, and Chemical Reactions Y Yang, Z Sparrow, B Ernst, T Quady, J Lee, Y Yang, L Tu, R Distasio APS March Meeting Abstracts 2022, S01. 010, 2022 | | 2022 |
| NENCI-2021. I. A large benchmark database of non-equilibrium non-covalent interactions emphasizing close intermolecular contacts ZM Sparrow, BG Ernst, PT Joo, KU Lao, RA DiStasio The Journal of Chemical Physics 155 (18), 2021 | 22 | 2021 |
| CASE21: Uniting Non-Empirical and Semi-Empirical Density Functional Approximation Strategies using Constraint-Based Regularization ZM Sparrow, BG Ernst, TK Quady, RA DiStasio Jr arXiv preprint arXiv:2109.12560, 2021 | 2 | 2021 |
| Uniting Non-Empirical and Semi-Empirical Density Functional Approximation Strategies using Constraint-Based Regularization TK Quady, ZM Sparrow, BG Ernst, RA DiStasio Jr | | 2021 |
| NENCI-2020: A Large Benchmark Database of Non-Equilibrium Non-Covalent Interactions with an Emphasis on Close Contacts Z Sparrow, B Ernst, P Joo, KU Lao, R Distasio APS March Meeting Abstracts 2021, A19. 005, 2021 | | 2021 |
| Designer Potential Energy Surfaces via Magnetic Interactions Y Yang, L Tu, Y Chen, D Leung, R Niu, HY Ko, Y Yang, Z Sparrow, ... APS March Meeting Abstracts 2021, S07. 002, 2021 | | 2021 |
| Enabling Linear Scaling Exact Exchange for Heterogeneous Systems HY Ko, Z Sparrow, M Andrade, O Crane, B Ernst, P Kotamnives, Y Yang, ... APS March Meeting Abstracts 2021, F19. 010, 2021 | | 2021 |
| stoBEST: an efficient methodology for increased spatial resolution in two-component molecular tagging velocimetry M Pearce, Z Sparrow, TR Mabote, R Sánchez-González Measurement Science and Technology 32 (3), 035302, 2020 | 3 | 2020 |
| Tuning the mechanical properties of metallopolymers via ligand interactions: a combined experimental and theoretical study Y Vidavsky, MR Buche, ZM Sparrow, X Zhang, SJ Yang, RA DiStasio Jr, ... Macromolecules 53 (6), 2021-2030, 2020 | 30 | 2020 |
| NENCI-2020: A Large Benchmark Non-Equilibrium Non-Covalent Interaction Database with Emphasis on the Repulsive Wall Z Sparrow, B Ernst, P Joo, KU Lao, R Distasio Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Improving the Scalability of Condensed-Phase Hybrid Density Functional Theory: Computation, Communication, and Load Balancing HY Ko, J Jia, M Andrade, Z Sparrow, R Distasio Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Attacking the Strong and Weak Scaling Limits in Linear Scaling Hybrid Density Functional Theory R Distasio, HY Ko, J Jia, B Santra, Z Sparrow, A Vazquez-Mayagoitia, ... APS March Meeting Abstracts 2019, A22. 009, 2019 | | 2019 |
