Alán Aspuru‐Guzik
1997–2026 年に発表
- 別表記
- Alán Aspuru-Guzik · Alan Aspuru-Guzik · Alan Aspuru‐Guzik · Alán Aspuru−Guzik
- 352
- 論文数
- 71,139
- 被引用数
- 113
- h 指数
- 278
- i10 指数
被引用数
引用元
国・地域
機関
分野
- Computer Science58.7%
- Materials Science13%
- Physics and Astronomy7.9%
- Engineering7.2%
- Biochemistry, Genetics and Molecular Biology5.1%
- Medicine2%
- その他6.1%
トピック
- Quantum Computing Algorithms and Architecture12.7%
- Quantum Information and Cryptography10.8%
- Machine Learning in Materials Science7.7%
- Computational Drug Discovery Methods7.6%
- Quantum and electron transport phenomena2.9%
- Neural Networks and Reservoir Computing2%
- その他56.3%
共著者
- AkshatKumar Nigam21
- Florian Häse21
- Riley J. Hickman21
- Benjamín Sánchez-Lengeling19
- Mario Krenn17
- Robert Pollice17
- Gary Tom15
- Jakob S. Kottmann15
- Matteo Aldeghi15
- Ryan Babbush15
- Luca A. Thiede14
- Marta Skreta13
- Daniel Flam-Shepherd12
- Pascal Friederich12
- Zijian Zhang12
- Abhinav Anand11
- Florian Shkurti11
- Jarrod R. McClean11
- Man‐Hong Yung11
- Matthias Degroote11
- Sagi Eppel11
- Alex Zhavoronkov10
- Animesh Garg10
- Christine Allen10
全論文
- A variational eigenvalue solver on a photonic quantum processor
著者: Alberto Peruzzo, Jarrod R. McClean, Peter Shadbolt, Man‐Hong Yung, Xiaoqi Zhou, Peter J. Love, Alán Aspuru‐Guzik, Jeremy L. O’Brien - Nature Communications 2014 被引用: 4,571
- Automatic chemical design using a data-driven continuous representation of molecules
著者: Rafael Gómez‐Bombarelli, Jennifer N. Wei, David Duvenaud, José Miguel Hernández-Lobato, Benjamín Sánchez-Lengeling, Dennis Sheberla, Jorge Aguilera‐Iparraguirre, Timothy Hirzel, Ryan P. Adams, Alán Aspuru‐Guzik - ACS Central Science 2018 被引用: 3,038
- Noisy intermediate-scale quantum algorithms
著者: Kishor Bharti, Alba Cervera-Lierta, Thi Ha Kyaw, Tobias Haug, Sumner Alperin-Lea, Abhinav Anand, Matthias Degroote, Hermanni Heimonen, Jakob S. Kottmann, Tim Menke, Wai‐Keong Mok, Sukin Sim, L. C. Kwek, Alán Aspuru‐Guzik - Reviews of Modern Physics 2022 被引用: 1,653
- The theory of variational hybrid quantum-classical algorithms
著者: Jarrod R. McClean, Jonathan Romero, Ryan Babbush, Alán Aspuru‐Guzik - New Journal of Physics 2016 被引用: 2,258
- Expressibility and Entangling Capability of Parameterized Quantum Circuits for Hybrid Quantum‐Classical Algorithms
著者: Sukin Sim, Peter D. Johnson, Alán Aspuru‐Guzik - Advanced Quantum Technologies 2019 被引用: 797
- Quantum Chemistry in the Age of Quantum Computing
著者: Yudong Cao, Jonathan Romero, Jonathan P. Olson, Matthias Degroote, Peter D. Johnson, Mária Kieferová, Ian D. Kivlichan, Tim Menke, Borja Peropadre, Nicolas P. D. Sawaya, Sukin Sim, Libor Veis, Alán Aspuru-Guzik - Chemical Reviews 2019 被引用: 1,419
- Quantum computational chemistry
著者: Sam McArdle, Suguru Endo, Alán Aspuru‐Guzik, Simon C. Benjamin, Xiao Yuan - Reviews of Modern Physics 2020 被引用: 1,642
- Deep learning enables rapid identification of potent DDR1 kinase inhibitors
著者: Alex Zhavoronkov, Yan A. Ivanenkov, Alex Aliper, Mark S. Veselov, Vladimir Aladinskiy, Anastasiya V. Aladinskaya, Victor A. Terentiev, Daniil Polykovskiy, Maksim Kuznetsov, Arip Asadulaev, Yury Volkov, Artem Zholus, Rim Shayakhmetov, Alexander Zhebrak, Lidiya I. Minaeva, Bogdan Zagribelnyy, Lennart H. Lee, Richard Söll, David S. Madge, Xing Li, Tao Guo, Alán Aspuru‐Guzik - Nature Biotechnology 2019 被引用: 1,493
- Inverse molecular design using machine learning: Generative models for matter engineering
著者: Benjamín Sánchez-Lengeling, Alán Aspuru‐Guzik - Science 2018 被引用: 2,148
- Simulated Quantum Computation of Molecular Energies
著者: Alán Aspuru‐Guzik, Anthony D. Dutoi, Peter J. Love, Martin Head‐Gordon - Science 2005 被引用: 1,466
- QSAR without borders
著者: Eugene Muratov, Jürgen Bajorath, Robert P. Sheridan, Igor V. Tetko, Dmitry Filimonov, Vladimir Poroikov, Tudor I. Oprea, Igor I. Baskin, Alexandre Varnek, Adrián E. Roitberg, Olexandr Isayev, Stefano Curtalolo, Denis Fourches, Yoram Cohen, Alán Aspuru‐Guzik, David A. Winkler, Dimitris K. Agrafiotis, Artem Cherkasov, Alexander Tropsha - Chemical Society Reviews 2020 被引用: 852
- AlphaFold accelerates artificial intelligence powered drug discovery: efficient discovery of a novel CDK20 small molecule inhibitor
著者: Feng Ren, Xiao Ding, Min Zheng, Mikhail Korzinkin, Xin Cai, Wei Zhu, Alexey B. Mantsyzov, Alex Aliper, Vladimir Aladinskiy, Zhongying Cao, Shanshan Kong, Xi Long, Bonnie Hei Man Liu, Yingtao Liu, Vladimir Naumov, Anastasia Shneyderman, Ivan V. Ozerov, Ju Wang, Frank W. Pun, Daniil Polykovskiy, Chong Sun, Michael D. Levitt, Alán Aspuru‐Guzik, Alex Zhavoronkov - Chemical Science 2023 被引用: 326
- Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
著者: Xuan Zhang, Limei Wang, Jacob Helwig, Youzhi Luo, Cong Fu, Yaochen Xie, Meng Liu, Yuchao Lin, Xu Zhao, Keqiang Yan, Keir Adams, Maurice Weiler, Xiner Li, Tianfan Fu, Yucheng Wang, Alex Strasser, Haiyang Yu, Yuqing Xie, Xiang Fu, Shenglong Xu, Yi Liu, Yuanqi Du, Alexandra Saxton, Hongyi Ling, Hannah R. Lawrence, H. Stärk, Shurui Gui, Carl N. Edwards, Nicholas Gao, Adriana Ladera, Tailin Wu, Elyssa F. Hofgard, Aria Mansouri Tehrani, Rui Wang, Ameya Daigavane, Montgomery Bohde, Jerry Kurtin, Qian Huang, Tuong Phung, Minkai Xu, Chaitanya K. Joshi, Simon V. Mathis, Kamyar Azizzadenesheli, Ada Fang, Alán Aspuru‐Guzik, Erik J. Bekkers, Michael M. Bronstein, Marinka Žitnik, Anima Anandkumar, Stefano Ermon, Píetro Lió, Rose Yu, Stephan Günnemann, Jure Leskovec, Heng Ji, Jimeng Sun, Regina Barzilay, Tommi Jaakkola, Connor W. Coley, Xiaoning Qian, Xiaofeng Qian, Tess Smidt, Shuiwang Ji - Foundations and Trends® in Machine Learning, Found. Trends Mach. Learn. 2025 被引用: 141
- Potential of quantum computing for drug discovery
著者: Yudong Cao, Jhonathan Romero, Alán Aspuru-Guzik - IBM Journal of Research and Development, IBM J. Res. Dev. 2018 被引用: 351
- Quantum autoencoders for efficient compression of quantum data
著者: Jonathan Romero, Jonathan P Olson, Alan Aspuru-Guzik - Quantum Science and Technology 2017 被引用: 501
- Convolutional Networks on Graphs for Learning Molecular Fingerprints
著者: David Duvenaud, Dougal Maclaurin, Jorge Aguilera-Iparraguirre, Rafael Gómez-Bombarelli, Timothy Hirzel, Alán Aspuru-Guzik, Ryan P. Adams - NIPS 2015 被引用: 3,667
- Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models
著者: Gabriel Lima Guimaraes, Benjamín Sánchez-Lengeling, Outeiral, Carlos, Pedro Luis Cunha Farias, Alán Aspuru‐Guzik - arXiv (Cornell University), CoRR 2017 被引用: 499
- Machine learning directed drug formulation development
著者: Pauric Bannigan, Matteo Aldeghi, Zeqing Bao, Florian Häse, Alán Aspuru‐Guzik, Christine Allen - Advanced Drug Delivery Reviews 2021 被引用: 305
- Machine learning models to accelerate the design of polymeric long-acting injectables
著者: Pauric Bannigan, Zeqing Bao, Riley J. Hickman, Matteo Aldeghi, Florian Häse, Alán Aspuru‐Guzik, Christine Allen - Nature Communications 2023 被引用: 214
- Nanoparticle synthesis assisted by machine learning
著者: Huachen Tao, Tianyi Wu, Matteo Aldeghi, Tony Wu, Alán Aspuru‐Guzik, Eugenia Kumacheva - Nature Reviews Materials 2021 被引用: 517
- Autonomous Chemical Experiments: Challenges and Perspectives on Establishing a Self-Driving Lab
著者: Martin Seifrid, Robert Pollice, Andrés Aguilar‐Granda, Zamyla Morgan Chan, Kazuhiro Hotta, Cher Tian Ser, Jenya Vestfrid, Tony Wu, Alán Aspuru‐Guzik - Accounts of Chemical Research 2022 被引用: 267
- Machine-learned potentials for next-generation matter simulations
著者: Pascal Friederich, Florian Häse, Jonny Proppe, Alán Aspuru‐Guzik - Nature Materials 2021 被引用: 565
- Machine Learning for a Sustainable Energy Future
著者: Zhenpeng Yao, Yanwei Lum, Andrew Johnston, Luis Martin Mejia-Mendoza, Xin Zhou, Yonggang Wen, Alán Aspuru-Guzik, Edward H. Sargent, Zhi Wei Seh - Nature Reviews Materials 2022 被引用: 468
- Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach
著者: Rafael Gómez‐Bombarelli, Jorge Aguilera‐Iparraguirre, Timothy Hirzel, David Duvenaud, Dougal Maclaurin, Martin A. Blood-Forsythe, Hyun Sik Chae, Markus Einzinger, Dong-Gwang Ha, Tony Wu, Γεώργιος Μαρκόπουλος, Soon-Ok Jeon, Hosuk Kang, Hiroshi Miyazaki, Masaki Numata, Sunghan Kim, Wenliang Huang, Seong Ik Hong, Marc A. Baldo, Ryan P. Adams, Alán Aspuru‐Guzik - Nature Materials 2016 被引用: 1,124
