| Probing the chemistry of molecular heterojunctions using thermoelectricity K Baheti, JA Malen, P Doak, P Reddy, SY Jang, TD Tilley, A Majumdar, ... Nano letters 8 (2), 715-719, 2008 | 341 | 2008 |
| Identifying the length dependence of orbital alignment and contact coupling in molecular heterojunctions JA Malen, P Doak, K Baheti, TD Tilley, RA Segalman, A Majumdar Nano letters 9 (3), 1164-1169, 2009 | 277 | 2009 |
| The nature of transport variations in molecular heterojunction electronics JA Malen, P Doak, K Baheti, TD Tilley, A Majumdar, RA Segalman Nano letters 9 (10), 3406-3412, 2009 | 125 | 2009 |
| QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo PRC Kent, A Annaberdiyev, A Benali, MC Bennett, EJ Landinez Borda, ... The Journal of chemical physics 152 (17), 2020 | 118 | 2020 |
| Voltage tuning of vibrational mode energies in single-molecule junctions Y Li, P Doak, L Kronik, JB Neaton, D Natelson Proceedings of the National Academy of Sciences 111 (4), 1282-1287, 2014 | 72 | 2014 |
| Using molecular design to control the performance of hydrogen-producing polymer-brush-modified photocathodes D Cedeno, A Krawicz, P Doak, M Yu, JB Neaton, GF Moore The Journal of Physical Chemistry Letters 5 (18), 3222-3226, 2014 | 69 | 2014 |
| Quantitative molecular orbital energies within a G0W0 approximation S Sharifzadeh, I Tamblyn, P Doak, PT Darancet, JB Neaton The European Physical Journal B 85, 1-5, 2012 | 69 | 2012 |
| Interplay of bias-driven charging and the vibrational Stark effect in molecular junctions Y Li, P Zolotavin, P Doak, L Kronik, JB Neaton, D Natelson Nano letters 16 (2), 1104-1109, 2016 | 50 | 2016 |
| Theory of covalent adsorbate frontier orbital energies on functionalized light-absorbing semiconductor surfaces M Yu, P Doak, I Tamblyn, JB Neaton The Journal of Physical Chemistry Letters 4 (10), 1701-1706, 2013 | 40 | 2013 |
| A Microfluidics and Agent-Based Modeling Framework for Investigating Spatial Organization in Bacterial Colonies: The Case of Pseudomonas Aeruginosa and H1 … JL Wilmoth, PW Doak, A Timm, M Halsted, JD Anderson, M Ginovart, ... Frontiers in microbiology 9, 33, 2018 | 32 | 2018 |
| Anharmonic stabilization of ferrielectricity in N Sivadas, P Doak, P Ganesh Physical Review Research 4 (1), 013094, 2022 | 12 | 2022 |
| Thermodynamic control of two-dimensional molecular ionic nanostructures on metal surfaces S Jeon, PW Doak, BG Sumpter, P Ganesh, P Maksymovych Acs Nano 10 (8), 7821-7829, 2016 | 9 | 2016 |
| Adsorption and stability of π-bonded ethylene on GaP (110) MM Ugeda, M Yu, AJ Bradley, P Doak, W Liu, GF Moore, ID Sharp, ... The Journal of Physical Chemistry C 117 (49), 26091-26096, 2013 | 7 | 2013 |
| DCA++ project: Sustainable and scalable development of a high-performance research code UR Hähner, G Balduzzi, PW Doak, TA Maier, R Solcà, TC Schulthess Journal of Physics: Conference Series 1290 (1), 012017, 2019 | 6 | 2019 |
| Accelerating DCA++ (dynamical cluster approximation) scientific application on the summit supercomputer G Balduzzi, A Chatterjee, YW Li, PW Doak, U Haehner, EF D'Azevedo, ... 2019 28th International Conference on Parallel Architectures and Compilation …, 2019 | 5 | 2019 |
| Covalent Functionalization of GaP (110) Surfaces via a Staudinger-Type Reaction with Perfluorophenyl Azide M M. Ugeda, AJ Bradley, L Rodrigo, M Yu, W Liu, P Doak, A Riss, ... The Journal of Physical Chemistry C 120 (46), 26448-26452, 2016 | 4 | 2016 |
| A high-performance design for hierarchical parallelism in the QMCPACK Monte Carlo code Y Luo, P Doak, P Kent 2022 IEEE/ACM International Workshop on Hierarchical Parallelism for …, 2022 | 3 | 2022 |
| Machine-learning accelerated studies of materials with high performance and edge computing YW Li, PW Doak, G Balduzzi, W Elwasif, EF D’Azevedo, TA Maier Smoky Mountains Computational Sciences and Engineering Conference, 190-205, 2021 | 2 | 2021 |
| Software engineering to sustain a high-performance computing scientific application: QMCPACK WF Godoy, SE Hahn, MM Walsh, PW Fackler, JT Krogel, PW Doak, ... arXiv preprint arXiv:2307.11502, 2023 | 1 | 2023 |
| Spin-singlet topological superconductivity in the attractive Rashba-Hubbard model P Doak, G Balduzzi, P Laurell, E Dagotto, TA Maier Physical Review B 107 (22), 224501, 2023 | 1 | 2023 |
