| Communication: An accurate global potential energy surface for the ground electronic state of ozone R Dawes, P Lolur, A Li, B Jiang, H Guo The Journal of Chemical Physics 139 (20), 2013 | 128 | 2013 |
| Communication: Highly accurate ozone formation potential and implications for kinetics R Dawes, P Lolur, J Ma, H Guo The Journal of chemical physics 135 (8), 2011 | 105 | 2011 |
| 3D printing of molecular potential energy surface models P Lolur, R Dawes Journal of Chemical Education 91 (8), 1181-1184, 2014 | 58 | 2014 |
| Benchmarking the variational quantum eigensolver through simulation of the ground state energy of prebiotic molecules on high-performance computers P Lolur, M Rahm, M Skogh, L García-Álvarez, G Wendin AIP Conference Proceedings 2362 (1), 2021 | 22 | 2021 |
| Reference-state error mitigation: A strategy for high accuracy quantum computation of chemistry P Lolur, M Skogh, W Dobrautz, C Warren, J Biznárová, A Osman, ... Journal of Chemical Theory and Computation 19 (3), 783-789, 2023 | 18 | 2023 |
| Spectroscopy and dynamics of the predissociated, quasi-linear S2 state of chlorocarbene C Tao, CA Richmond, C Mukarakate, SH Kable, GB Bacskay, EC Brown, ... The Journal of Chemical Physics 137 (10), 2012 | 16 | 2012 |
| Towards a global model of spin-orbit coupling in the halocarbenes S Nyambo, C Karshenas, SA Reid, P Lolur, R Dawes The Journal of Chemical Physics 142 (21), 2015 | 14 | 2015 |
| H2 Generation from H2O and H2S through an Iodine Cycle RJ Gillis, P Lolur, WH Green ACS Sustainable Chemistry & Engineering 7 (7), 7369-7377, 2019 | 7 | 2019 |
| Accelerating variational quantum eigensolver convergence using parameter transfer M Skogh, O Leinonen, P Lolur, M Rahm Electronic Structure 5 (3), 035002, 2023 | 6 | 2023 |
| A density functional theory for the average electron energy S Racioppi, P Lolur, P Hyldgaard, M Rahm Journal of Chemical Theory and Computation 19 (3), 799-807, 2023 | 6 | 2023 |
| The electron density: a fidelity witness for quantum computation M Skogh, W Dobrautz, P Lolur, C Warren, J Biznárová, A Osman, ... Chemical Science 15 (6), 2257-2265, 2024 | 3 | 2024 |
| Theoretical study of vibronic perturbations in magnesium carbide P Lolur, R Dawes, MC Heaven Molecular Physics 114 (2), 162-171, 2016 | 2 | 2016 |
| Data-driven reactivity prediction of targeted covalent inhibitors using computed quantum features for drug discovery TWA Montgomery, P Pogány, A Purdy, M Harris, M Kowalik, A Ferraro, ... arXiv preprint arXiv:2307.09671, 2023 | 1 | 2023 |
| Benchmarking the performance of variational quantum eigensolvers (VQE) applied to the HCN molecule. G Wendin, A Tranter, D Muńoz Ramo, R Duncan, P Lolur, M Skogh, ... APS March Meeting Abstracts 2022, B01. 010, 2022 | 1 | 2022 |
| Reverse Map Projections as Equivariant Quantum Embeddings M Arnott, D Papaioannou, K McDowall, P Lolur, B Baldé arXiv preprint arXiv:2407.19906, 2024 | | 2024 |
| Reference-State Error Mitigation: A Strategy for High Accuracy Quantum Computation of Chemistry W Dobrautz, P Lolur, M Skogh, C Warren, J Biznárová, A Osman, ... APS March Meeting Abstracts 2023, G00. 292, 2023 | | 2023 |
| A Physical Expression of Electrons in Density Functional Theory S Racioppi, P Lolur, P Hyldgaard, M Rahm | | 2022 |
| Reference-state Error Mitigation: A Chemistry Inspired Strategy for Improving Molecular Energy Evaluations on NISQ Devices P Lolur, M Skogh, M Rahm APS March Meeting Abstracts 2022, Z36. 008, 2022 | | 2022 |
| Theory and applications for sulfur chemistry: hydrogen from hydrogen sulfide RJ Gillis Massachusetts Institute of Technology, 2020 | | 2020 |
| Chemistry of alkylaromatics in crude oil upgrading LTC Lai Massachusetts Institute of Technology, 2019 | | 2019 |
