| Real-time TD-DFT with classical ion dynamics: Methodology and applications G Kolesov, O Grånäs, R Hoyt, D Vinichenko, E Kaxiras Journal of chemical theory and computation 12 (2), 466-476, 2016 | 66 | 2016 |
| Dry dehydrogenation of ethanol on Pt–Cu single atom alloys ZT Wang, RA Hoyt, M El-Soda, RJ Madix, E Kaxiras, ECH Sykes Topics in Catalysis 61, 328-335, 2018 | 53 | 2018 |
| Machine Learning Prediction of H Adsorption Energies on Ag Alloys RA Hoyt, MM Montemore, I Fampiou, W Chen, G Tritsaris, E Kaxiras Journal of chemical information and modeling 59 (4), 1357-1365, 2019 | 51 | 2019 |
| Polyiodide-doped graphene RA Hoyt, EM Remillard, ED Cubuk, CD Vecitis, E Kaxiras The Journal of Physical Chemistry C 121 (1), 609-615, 2017 | 32 | 2017 |
| Anhydrous Methanol and Ethanol Dehydrogenation at Cu (111) Step Edges RA Hoyt, MM Montemore, ECH Sykes, E Kaxiras The Journal of Physical Chemistry C 122 (38), 21952-21962, 2018 | 31 | 2018 |
| Nonadiabatic Hydrogen Dissociation on Copper Nanoclusters RA Hoyt, MM Montemore, E Kaxiras The Journal of Physical Chemistry Letters 9 (18), 5339-5343, 2018 | 15 | 2018 |
| Reaction-Induced Excitations and Their Effect on Surface Chemistry MM Montemore, R Hoyt, G Kolesov, E Kaxiras ACS Catalysis 8 (11), 10358-10363, 2018 | 7 | 2018 |
| Predicting outcomes of catalytic reactions using machine learning T Rhone, R Hoyt, C O'Connor, M Montemore, C Kumar, C Friend, ... Bulletin of the American Physical Society, 2021 | 3 | 2021 |
| Predicting outcomes of catalytic reactions using machine learning TD Rhone, R Hoyt, CR O'Connor, MM Montemore, CSSR Kumar, ... arXiv preprint arXiv:1908.10953, 2019 | 3 | 2019 |
| Replication Data for: Reaction-Induced Excitations and Their Effect on Surface Chemistry MM Montemore, R Hoyt, G Kolesov, E Kaxiras Harvard Univ., Cambridge, MA (United States). Integrated Mesoscale …, 2019 | | 2019 |
| Machine learning catalytic reactions TD Rhone, C O'Connor, R Hoyt, M Montemore, C Kumar, A Yacoby, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| How can we use machine learning to study droplet catalysis? TD Rhone, C O'Connor, R Hoyt, M Montemore, C Kumar, C Friend, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Insights from Machine Learning on a Large Database of Adsorption Energies MM Montemore, R Hoyt, I Fampiou, W Chen, T Smidt, K Kohlhoff, P Riley, ... 2018 AIChE Annual Meeting, 2018 | | 2018 |
| Understanding Catalysts with Density Functional Theory and Machine Learning R Hoyt Harvard University, 2018 | | 2018 |
| Electronic Excitations in Thermal Heterogeneous Catalysis MM Montemore, R Hoyt, G Kolesov, E Kaxiras 2017 AIChE Annual Meeting, 2017 | | 2017 |
| Electronic and Catalytic Properties of Iodine-Doped Graphene RA Hoyt, EM Remillard, ED Cubuk, CD Vecitis, E Kaxiras APS March Meeting Abstracts 2017, Y25. 005, 2017 | | 2017 |
| Non-adiabatic effects and electronic excitations during dissociation on catalytic surfaces M Montemore, R Hoyt, E Kaxiras ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
| Non-adiabatic energy dissipation in dissociation on catalytic surface M Montemore, R Hoyt, E Kaxiras ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
| Spin-Polarized Nonadiabatic Dynamics with Local Basis Sets R Hoyt, G Kolesov, G Tritsaris, O Granas, E Efthimios APS March Meeting Abstracts 2015, W26. 001, 2015 | | 2015 |
Efthimios KaxirasProfessor of Pysics and Applied Physics, Harvard UniversityVerified email at physics.harvard.edu
