| NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020 | 626 | 2020 |
| Quantum computer systems for scientific discovery Y Alexeev, D Bacon, KR Brown, R Calderbank, LD Carr, FT Chong, ... PRX quantum 2 (1), 017001, 2021 | 314 | 2021 |
| NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 216 | 2020 |
| VQE method: a short survey and recent developments DA Fedorov, B Peng, N Govind, Y Alexeev Materials Theory 6 (1), 2, 2022 | 199 | 2022 |
| Use cases of lossy compression for floating-point data in scientific data sets F Cappello, S Di, S Li, X Liang, AM Gok, D Tao, CH Yoon, XC Wu, ... The International Journal of High Performance Computing Applications 33 (6 …, 2019 | 163 | 2019 |
| Full-state quantum circuit simulation by using data compression XC Wu, S Di, EM Dasgupta, F Cappello, H Finkel, Y Alexeev, FT Chong Proceedings of the International Conference for High Performance Computing …, 2019 | 146 | 2019 |
| A survey of quantum computing for finance D Herman, C Googin, X Liu, A Galda, I Safro, Y Sun, M Pistoia, Y Alexeev arXiv preprint arXiv:2201.02773, 2022 | 145 | 2022 |
| GAMESS as a free quantum-mechanical platform for drug research Y Alexeev, M P Mazanetz, O Ichihara, D G Fedorov Current topics in medicinal chemistry 12 (18), 2013-2033, 2012 | 144 | 2012 |
| Learning to optimize variational quantum circuits to solve combinatorial problems S Khairy, R Shaydulin, L Cincio, Y Alexeev, P Balaprakash Proceedings of the AAAI conference on artificial intelligence 34 (03), 2367-2375, 2020 | 140 | 2020 |
| Quantum computing for finance D Herman, C Googin, X Liu, Y Sun, A Galda, I Safro, M Pistoia, Y Alexeev Nature Reviews Physics 5 (8), 450-465, 2023 | 129 | 2023 |
| Layer VQE: A variational approach for combinatorial optimization on noisy quantum computers X Liu, A Angone, R Shaydulin, I Safro, Y Alexeev, L Cincio IEEE Transactions on Quantum Engineering 3, 1-20, 2022 | 101 | 2022 |
| A hybrid approach for solving optimization problems on small quantum computers R Shaydulin, H Ushijima-Mwesigwa, CFA Negre, I Safro, SM Mniszewski, ... Computer 52 (6), 18-26, 2019 | 84 | 2019 |
| Geometry optimization of the active site of a large system with the fragment molecular orbital method DG Fedorov, Y Alexeev, K Kitaura The Journal of Physical Chemistry Letters 2 (4), 282-288, 2011 | 77 | 2011 |
| Multilevel combinatorial optimization across quantum architectures H Ushijima-Mwesigwa, R Shaydulin, CFA Negre, SM Mniszewski, ... ACM Transactions on Quantum Computing 2 (1), 1-29, 2021 | 75 | 2021 |
| Transferability of optimal QAOA parameters between random graphs A Galda, X Liu, D Lykov, Y Alexeev, I Safro 2021 IEEE International Conference on Quantum Computing and Engineering (QCE …, 2021 | 74 | 2021 |
| Evaluating quantum approximate optimization algorithm: A case study R Shaydulin, Y Alexeev 2019 tenth international green and sustainable computing conference (IGSC), 1-6, 2019 | 72 | 2019 |
| Network community detection on small quantum computers R Shaydulin, H Ushijima‐Mwesigwa, I Safro, S Mniszewski, Y Alexeev Advanced Quantum Technologies 2 (9), 1900029, 2019 | 70 | 2019 |
| Tensor network quantum simulator with step-dependent parallelization D Lykov, R Schutski, A Galda, V Vinokur, Y Alexeev 2022 IEEE International Conference on Quantum Computing and Engineering (QCE …, 2022 | 68 | 2022 |
| Potent inhibition of VEGFR‐2 activation by tight binding of green tea epigallocatechin gallate and apple procyanidins to VEGF: Relevance to angiogenesis CWA Moyle, AB Cerezo, MS Winterbone, WJ Hollands, Y Alexeev, ... Molecular nutrition & food research 59 (3), 401-412, 2015 | 67 | 2015 |
| Pi release from myosin: a simulation analysis of possible pathways M Cecchini, Y Alexeev, M Karplus Structure 18 (4), 458-470, 2010 | 63 | 2010 |
Ilya SafroAssociate Professor of Computer Science, University of DelawareVerified email at udel.edu
