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G

Gábor Cśanyi

ackermannweg 10

72H-index
318Paper Count
2.6WCitation Count
Published Papers 111
Publication Date
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Bottom-Up Synthesis of Molecular Nanodiamond from Nanographene
errNature
IF48.5
err2026-05-26
err0
PREAI
errJiaxu Liang; Christopher P. Ender; Nancy C. Forero-Martinez; Ilyes Batatia; Jingyi Liu; Xin Yang; Raul Gonzalez Brouwer; Lev Kazak; Rémi Blinder; Leonardo Cancellara; Nadezda V. Tarakina; Yizhi Liu; Tobias Eklund; Mangalika Sinha; Sarah Köster; Shrikant Bhat; Fabian Rohmann; Andreas Tangemann; Kilian Lee Gallo; Rüdiger Berger; Robert Farla; Alexander Kubanek; Katrin Amann-Winkel; Manfred Wagner; Fedor Jelezko; Klaus Müllen; Gábor Csányi; Robinson Cortes-Huerto; Yingke Wu; Tanja Weil
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errSave
Accelerated Reaction Exploration across Scales: A Hybrid Operando and Modeling Study of Oxidation Kinetics in Monolayer Tungsten Disulfide
errJournal of the American Chemical Society
IF15.6
err2026-05-20
err0
errOAAI
errJad Jaafar; Ye Fan; Maryam Kazemzadeh-Atoufi; Ryo Mizuta; Jinfeng Yang; Jack E. N. Swallow; Elizabeth Jones; Matthijs Van Spronsen; Georg Held; Robert S. Weatherup; Peter Voorhees; David J. Wales; Gabor Csanyi; Stephan Hofmann
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errSave
Limitations of Cluster-Trained MLIPs for Liquid Density and Diffusivity
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-31
err0
errOAAI
errViktor Svahn; Ioan-Bogdan Magdău; Samuel P. Niblett; Gábor Csányi; Kersti Hermansson; Jolla Kullgren
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errSave
Computing Solvation Free Energies of Small Molecules with Experimental Accuracy
errJournal of the American Chemical Society
IF15.6
err2026-01-27
err0
errOAAI
errJ. Harry Moore; Daniel J. Cole; Gábor Csányi
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errSave
Clustered Reverse Resumable A* Algorithm for Warehouse Robot Pathfinding
errMACHINES
IF2.5
err2025-12-08
err0
errOAAI
errCsanyi, Gabor; Laszlo Z., Varga
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errSave
Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water
errJournal of Chemical Theory and Computation
IF5.5
err2025-11-07
err0
errOAAI
errNiamh O’Neill; Benjamin X. Shi; William J. Baldwin; William C. Witt; Gábor Csányi; Julian D. Gale; Angelos Michaelides; Christoph Schran
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errSave
Self-consistent Coulomb interactions for machine learning interatomic potentials
errNONLINEARITY
IF0
err2025-09-30
err0
PREAI
errThomas, Jack; Baldwin, Will; Csanyi, Gabor; Ortner, Christoph
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errSave
A predictive framework for liquid electrolytes takes root with BAMBOO
errNature Machine Intelligence
IF23.9
err2025-07-10
err0
PREAI
errIoan-Bogdan Magdău; Gábor Csányi
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errSave
Efficient exploration of reaction pathways using reaction databases and active learning
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-21
err0
PREAI
errKuryla, Domantas; Csanyi, Gabor; van Duin, Adri C. T.; Michaelides, Angelos
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errSave
Graph neural networks for strut-based architected solids
errJOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
IF6
err2025-02-01
err0
errOAAI
errGrega, I.; Batatia, I.; Indurkar, P. P.; Csanyi, G.; Karlapati, S.
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errSave
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
errFARADAY DISCUSSIONS
IF3.1
err2025-01-01
err2
errOAAI
errKaur, Harveen; Della Pia, Flaviano; Batatia, Ilyes; Advincula, Xavier R.; Shi, Benjamin X.; Lan, Jinggang; Csanyi, Gabor; Michaelides, Angelos; Kapil, Venkat
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errSave
Efficient Composite Infrared Spectroscopy: Combining the Double-Harmonic Approximation with Machine Learning Potentials
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-12-12
err0
PREAI
errPracht, Philipp; Pillai, Yuthika; Kapil, Venkat; Csanyi, Gabor; Goennheimer, Nils; Vondrak, Martin; Margraf, Johannes T.; Wales, David J.
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errSave
Setting standards for data driven materials science
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-10-01
err0
errOAAI
errButler, Keith T.; Choudhary, Kamal; Csanyi, Gabor; Ganose, Alex M.; Kalinin, Sergei V.; Morgan, Dane
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errSave
Accurate Crystal Structure Prediction of New 2D Hybrid Organic-Inorganic Perovskites
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-09-30
err0
errOAAI
errKarimitari, Nima; Baldwin, William J.; Muller, Evan W.; Bare, Zachary J. L.; Kennedy, W. Joshua; Csanyi, Gabor; Sutton, Christopher
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Guest editorial: Special Topic on software for atomistic machine learning
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-08-09
err1
errOAAI
errRupp, Matthias; Kucukbenli, Emine; Csanyi, Gabor
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errSave
Benchmarking of machine learning interatomic potentials for reactive hydrogen dynamics at metal surfaces
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2024-07-15
err3
errOAAI
errStark, Wojciech G.; van der Oord, Cas; Batatia, Ilyes; Zhang, Yaolong; Jiang, Bin; Csanyi, Gabor; Maurer, Reinhard J.
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errSave
Efficiency, accuracy, and transferability of machine learning potentials: to dislocations and cracks in iron
errACTA MATERIALIA
IF9.3
err2024-05-01
err6
errOAAI
errZhang, Lei; Csanyi, Gabor; van der Giessen, Erik; Maresca, Francesco
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errSave
Toward transferable empirical valence bonds: Making classical force fields reactive
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-03-25
err0
errOAAI
errAllen, Alice E. A.; Csanyi, Gabor
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errSave
First-principles spectroscopy of aqueous interfaces using machine-learned electronic and quantum nuclear effects
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err24
errOAAI
errKapil, Venkat; Kovacs, David Peter; Csanyi, Gabor; Michaelides, Angelos
errShare
errSave
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-12-18
err10
errOAAI
errGelzinyte, Elena; Oeren, Mario; Segall, Matthew D.; Csanyi, Gabor
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Research Directions

No research directions
Co-authors
Cooperation Journals
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Donald G. Truhlar
H-index: 187 · Papers: 1.9K
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刘劼 (Jie Liu)
H-index: 150 · Papers: 2.3K
C
Clare P. Grey
H-index: 132 · Papers: 1.2K
A
Aron Walsh
H-index: 126 · Papers: 984
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