Yusuf Hamied Department of Chemistry

Professor Gabor Csanyi

Professor

Publications

Compressing local atomic neighbourhood descriptors
G Csanyi, J Darby, J Kermode
npj Computational Materials
(2022)
(doi: 10.1038/s41524-022-00847-y)
A Hybrid Machine Learning Approach for Structure Stability Prediction in Molecular Co-crystal Screenings
S Wengert, G Csányi, K Reuter, JT Margraf
J Chem Theory Comput
(2022)
18
(doi: 10.1021/acs.jctc.2c00343)
MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields
I Batatia, DP Kovács, GNC Simm, C Ortner, G Csányi
(2022)
Author Correction: Nested sampling for physical scientists
G Ashton, N Bernstein, J Buchner, X Chen, G Csányi, A Fowlie, F Feroz, M Griffiths, W Handley, M Habeck, E Higson, M Hobson, A Lasenby, D Parkinson, LB Pártay, M Pitkin, D Schneider, JS Speagle, L South, J Veitch, P Wacker, DJ Wales, D Yallup
Nature Reviews Methods Primers
(2022)
2
(doi: 10.1038/s43586-022-00138-2)
Nested sampling for physical scientists
G Ashton, N Bernstein, J Buchner, X Chen, G Csányi, A Fowlie, F Feroz, M Griffiths, W Handley, M Habeck, E Higson, M Hobson, A Lasenby, D Parkinson, LB Pártay, M Pitkin, D Schneider, JS Speagle, L South, J Veitch, P Wacker, DJ Wales, D Yallup
(2022)
(doi: 10.48550/arxiv.2205.15570)
Nested sampling for physical scientists
G Ashton, N Bernstein, J Buchner, X Chen, G Csányi, A Fowlie, F Feroz, M Griffiths, W Handley, M Habeck, E Higson, M Hobson, A Lasenby, D Parkinson, LB Pártay, M Pitkin, D Schneider, JS Speagle, L South, J Veitch, P Wacker, DJ Wales, D Yallup
Nature Reviews Methods Primers
(2022)
2
(doi: 10.1038/s43586-022-00121-x)
Ranking the information content of distance measures
A Glielmo, C Zeni, B Cheng, G Csanyi, A Laio
(2022)
(doi: 10.48550/arxiv.2104.15079)
Multilayer atomic cluster expansion for semi-local interactions
A Bochkarev, Y Lysogorskiy, C Ortner, G Csányi, R Drautz
(2022)
(doi: 10.48550/arxiv.2205.08177)
Multilayer atomic cluster expansion for semi-local interactions
A Bochkarev, Y Lysogorskiy, C Ortner, G Csányi, R Drautz
(2022)
A Combined Machine Learning and High-Energy X-ray Diffraction Approach to Understanding Liquid and Amorphous Metal Oxides
G Sivaraman, G Csanyi, A Vazquez-Mayagoitia, IT Foster, SK Wilke, R Weber, CJ Benmore
Journal of the Physical Society of Japan
(2022)
91
(doi: 10.7566/JPSJ.91.091009)

Research Interest Group

Telephone number

01223 762877

Email address

gc121@cam.ac.uk

College

Pembroke College
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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