Gábor Csányi
2003–2026 年に発表
- 別表記
- Gábor Cśanyi
- 125
- 論文数
- 26,147
- 被引用数
- 67
- h 指数
- 107
- i10 指数
被引用数
引用元
国・地域
機関
分野
- Materials Science50.5%
- Computer Science11%
- Biochemistry, Genetics and Molecular Biology10%
- Medicine8.8%
- Immunology and Microbiology4.8%
- Physics and Astronomy4.8%
- その他10.1%
トピック
- Machine Learning in Materials Science17.8%
- Computational Drug Discovery Methods11.6%
- Protein Structure and Dynamics5.7%
- X-ray Diffraction in Crystallography2.4%
- Advanced Chemical Physics Studies1.8%
- Neutrophil, Myeloperoxidase and Oxidative Mechanisms1.4%
- その他59.3%
共著者
- Ilyes Batatia17
- Noam Bernstein16
- Albert P. Bartók15
- Volker L. Deringer14
- Bhupesh Singla13
- Christoph Ortner13
- Dávid Péter Kovács11
- Patrick J. Pagano10
- James R. Kermode8
- Johannes T. Margraf8
- Michele Ceriotti8
- M. C. Payne7
- WonMo Ahn7
- Hui‐Ping Lin6
- James P. Darby6
- Pushpankur Ghoshal6
- Brian K. Stansfield5
- Cas van der Oord5
- Daniel J. Cole5
- Joseph White5
- Karsten Reuter5
- Mary Cherian‐Shaw5
- Ralf Drautz5
- Rudolf Lucas5
全論文
- Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons
著者: Albert P. Bartók, M. C. Payne, Risi Kondor, Gábor Cśanyi - Physical Review Letters 2010 被引用: 3,143
- On representing chemical environments
著者: Albert P. Bartók, Risi Kondor, Gábor Cśanyi - Physical Review B 2013 被引用: 2,639
- Gaussian Process Regression for Materials and Molecules
著者: Volker L. Deringer, Albert P. Bartók, Noam Bernstein, David M. Wilkins, Michele Ceriotti, Gábor Cśanyi - Chemical Reviews 2021 被引用: 1,204
- A foundation model for atomistic materials chemistry
著者: Batatia, Ilyes, Philipp Benner, Yuan Chiang, Alin M. Elena, Dávid Péter Kovács, Janosh Riebesell, Xavier R. Advincula, Mark Asta, Avaylon, Matthew, William J. Baldwin, Berger, Fabian, Noam Bernstein, Arghya Bhowmik, Bigi, Filippo, Samuel M. Blau, Vlad Cărare, Ceriotti, Michele, Chong, Sanggyu, James P. Darby, Sandip De, Flaviano Della Pia, Volker L. Deringer, Rokas Elijošius, Zakariya El‐Machachi, Falcioni, Fabio, Edvin Fako, Andrea C. Ferrari, Gardner, John L. A., Gawkowski, Mikolaj J., Annalena R. Genreith‐Schriever, Janine George, Rhys E. A. Goodall, Grandel, Jonas, Clare P. Grey, Grigorev, Petr, Shuang Han, Will Handley, Hendrik H. Heenen, Kersti Hermansson, Christian Holm, Ho, Cheuk Hin, Stephan Hofmann, Jad Jaafar, Konstantin S. Jakob, Hyunwook Jung, Venkat Kapil, Aaron D. Kaplan, Nima Karimitari, Kermode, James R., Kourtis, Panagiotis, Namu Kroupa, Jolla Kullgren, Matthew C. Kuner, Domantas Kuryla, Guoda Liepuoniute, Lin, Chen, Johannes T. Margraf, Ioan-Bogdan Magdău, Angelos Michaelides, J. Harry Moore, Aakash Ashok Naik, Samuel P. Niblett, Sam Walton Norwood, Niamh O’Neill, Christoph Ortner, Kristin A. Persson, Karsten Reuter, Andrew Rosen, Rosset, Louise A. M., Lars L. Schaaf, Christoph Schran, Shi, Benjamin X., Eric Sivonxay, Tamás K. Stenczel, Viktor Svahn, Christopher Sutton, Swinburne, Thomas D., Tilly, Jules, Cas van der Oord, Vargas, Santiago, Eszter Varga-Umbrich, Tejs Vegge, Martin Vondrák, Yangshuai Wang, William C. Witt, Wolf, Thomas, Fabian Zills, Gábor Csányi - arXiv (Cornell University) 2023 被引用: 246
- MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields
著者: Ilyes Batatia, Dávid Péter Kovács, Gregor N. C. Simm, Christoph Ortner, Gábor Csányi - Advances in Neural Information Processing Systems 35, NeurIPS 2022 被引用: 1,193
- Machine Learning Interatomic Potentials as Emerging Tools for Materials Science
著者: Volker L. Deringer, Miguel A. Caro, Gábor Cśanyi - Advanced Materials 2019 被引用: 989
- Comparing molecules and solids across structural and alchemical space
著者: Sandip De, Albert P. Bartók, Gábor Cśanyi, Michele Ceriotti - Physical Chemistry Chemical Physics 2016 被引用: 808
- Evaluation of the MACE force field architecture: From medicinal chemistry to materials science
著者: Dávid Péter Kovács, Ilyes Batatia, Eszter Sára Arany, Gábor Cśanyi - The Journal of Chemical Physics 2023 被引用: 175
- Performance and Cost Assessment of Machine Learning Interatomic Potentials
著者: Yunxing Zuo, Chi Chen, Xiangguo Li, Zhi Deng, Yiming Chen, Jörg Behler, Gábor Cśanyi, Alexander V. Shapeev, Aidan P. Thompson, Mitchell Wood, Shyue Ping Ong - The Journal of Physical Chemistry A 2020 被引用: 927
- MACE-OFF: Transferable Short Range Machine Learning Force Fields for Organic Molecules
著者: Dávid Péter Kovács, J. Harry Moore, Nicholas J. Browning, Ilyes Batatia, Joshua T. Horton, Pu, Yixuan, Venkat Kapil, Witt, William C., Ioan-Bogdan Magdău, Daniel J. Cole, Gábor Cśanyi - arXiv (Cornell University) 2023 被引用: 66
- The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials
著者: Ilyes Batatia, Simon L. Batzner, Dávid Péter Kovács, Albert Musaelian, Gregor N. C. Simm, Ralf Drautz, Christoph Ortner, Boris Kozinsky, Gábor Csányi - arXiv (Cornell University), CoRR 2022 被引用: 101
- Machine learning unifies the modeling of materials and molecules
著者: Albert P. Bartók, Sandip De, Carl Poelking, Noam Bernstein, James R. Kermode, Gábor Cśanyi, Michele Ceriotti - Science Advances 2017 被引用: 772
- Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon
著者: Yury Lysogorskiy, Cas van der Oord, Anton Bochkarev, Sarath Menon, Matteo Rinaldi, Thomas Hammerschmidt, Matous Mrovec, Aidan P. Thompson, Gábor Cśanyi, Christoph Ortner, Ralf Drautz - npj Computational Materials 2021 被引用: 248
- Machine learning based interatomic potential for amorphous carbon
著者: Volker L. Deringer, Gábor Cśanyi - Physical review. B./Physical review. B 2017 被引用: 679
- Machine learning potentials for extended systems: a perspective
著者: Jörg Behler, Gábor Cśanyi - The European Physical Journal B 2021 被引用: 219
- MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules
著者: Dávid Péter Kovács, J. Harry Moore, Nicholas J. Browning, Ilyes Batatia, Joshua T. Horton, Yixuan Pu, Venkat Kapil, William C. Witt, Ioan-Bogdan Magdău, Daniel J. Cole, Gábor Cśanyi - Journal of the American Chemical Society 2025 被引用: 160
- Gaussian approximation potentials: A brief tutorial introduction
著者: Albert P. Bartók, Gábor Cśanyi - International Journal of Quantum Chemistry 2015 被引用: 610
- The design space of E(3)-equivariant atom-centred interatomic potentials
著者: Ilyes Batatia, Simon L. Batzner, Dávid Péter Kovács, Albert Musaelian, Gregor N. C. Simm, Ralf Drautz, Christoph Ortner, Boris Kozinsky, Gábor Csányi - Nature Machine Intelligence, Nat. Mac. Intell. 2025 被引用: 154
- Linear Atomic Cluster Expansion Force Fields for Organic Molecules: Beyond RMSE
著者: Dávid Péter Kovács, Cas van der Oord, Jiri Kucera, Alice E. A. Allen, Daniel J. Cole, Christoph Ortner, Gábor Cśanyi - Journal of Chemical Theory and Computation 2021 被引用: 118
- Symmetry-Adapted Machine Learning for Tensorial Properties of Atomistic Systems
著者: Andrea Grisafi, David M. Wilkins, Gábor Cśanyi, Michele Ceriotti - Physical Review Letters 2018 被引用: 318
- Incompleteness of Atomic Structure Representations
著者: Sergey N. Pozdnyakov, Michael J. Willatt, Albert P. Bartók, Christoph Ortner, Gábor Cśanyi, Michele Ceriotti - Physical Review Letters 2020 被引用: 194
- Platelet-derived HMGB1 is a critical mediator of thrombosis
著者: Sebastian Vogel, Rebecca Bodenstein, Qiwei Chen, Susanne Feil, Robert Feil, Johannes Rheinlaender, Tilman E. Schäffer, Erwin Bohn, Julia-Stefanie Frick, Oliver Borst, Patrick Münzer, Britta Walker, Justin Markel, Gábor Csányi, Patrick J. Pagano, Patricia Loughran, Morgan Jessup, Simon C. Watkins, Grant C. Bullock, Jason L. Sperry, Brian S. Zuckerbraun, Timothy R. Billiar, Michael T. Lotze, Meinrad Gawaz, Matthew D. Neal - Journal of Clinical Investigation 2015 被引用: 368
- Identification of novel macropinocytosis inhibitors using a rational screen of Food and Drug Administration‐approved drugs
著者: Hui‐Ping Lin, Bhupesh Singla, Pushpankur Ghoshal, Jessica L Faulkner, Mary Cherian‐Shaw, Paul O’Connor, Jin‐Xiong She, Eric J. Belin de Chantemèle, Gábor Csányi - British Journal of Pharmacology 2018 被引用: 139
- Origins of structural and electronic transitions in disordered silicon
著者: Volker L. Deringer, Noam Bernstein, Gábor Cśanyi, Chiheb Ben Mahmoud, Michele Ceriotti, Mark Wilson, D. A. Drabold, Stephen R. Elliott - Nature 2021 被引用: 358
