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Roman Zubatyuk
Carnegie Mellon University - Pittsburgh / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 903208
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Roman Zubatyuk's MOST POPULAR ARTICLES
1-)
Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learningJS Smith, BT Nebgen, R Zubatyuk, N Lubbers, C Devereux, K Barros, ...Nature communications 10 (1), 1-8, 2019375*2019
2-)
Extending the applicability of the ANI deep learning molecular potential to sulfur and halogensC Devereux, JS Smith, KK Huddleston, K Barros, R Zubatyuk, O Isayev, ...Journal of Chemical Theory and Computation 16 (7), 4192-4202, 20201412020
3-)
Accurate and transferable multitask prediction of chemical properties with an atoms-in-molecules neural networkR Zubatyuk, JS Smith, J Leszczynski, O IsayevScience advances 5 (8), eaav6490, 20191402019
4-)
The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for moleculesJS Smith, R Zubatyuk, B Nebgen, N Lubbers, K Barros, AE Roitberg, ...Scientific data 7 (1), 134, 20201862020
5-)
Role of supramolecular synthons in the formation of the supramolecular architecture of molecular crystals revisited from an energetic viewpointOV Shishkin, RI Zubatyuk, SV Shishkina, VV Dyakonenko, VV MedviedievPhysical Chemistry Chemical Physics 16 (14), 6773-6786, 2014822014
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