| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 900 | 2021 |
| Graph neural networks for link prediction with subgraph sketching BP Chamberlain, S Shirobokov, E Rossi, F Frasca, T Markovich, ... arXiv preprint arXiv:2209.15486, 2022 | 119 | 2022 |
| Twhin: Embedding the twitter heterogeneous information network for personalized recommendation A El-Kishky, T Markovich, S Park, C Verma, B Kim, R Eskander, Y Malkov, ... Proceedings of the 28th ACM SIGKDD conference on knowledge discovery and …, 2022 | 62 | 2022 |
| Graph neural networks as gradient flows F Di Giovanni, J Rowbottom, BP Chamberlain, T Markovich, MM Bronstein | 51 | 2022 |
| Analytical nuclear gradients for the range-separated many-body dispersion model of noncovalent interactions MA Blood-Forsythe, T Markovich, RA DiStasio, R Car, A Aspuru-Guzik Chemical science 7 (3), 1712-1728, 2016 | 50 | 2016 |
| Understanding convolution on graphs via energies F Di Giovanni, J Rowbottom, BP Chamberlain, T Markovich, MM Bronstein arXiv preprint arXiv:2206.10991, 2022 | 41 | 2022 |
| Supersymmetric quantum mechanics, excited state energies and wave functions, and the Rayleigh− Ritz variational principle: A proof of principle study DJ Kouri, T Markovich, N Maxwell, ER Bittner The Journal of Physical Chemistry A 113 (52), 15257-15264, 2009 | 27 | 2009 |
| New generalization of supersymmetric quantum mechanics to arbitrary dimensionality or number of distinguishable particles DJ Kouri, K Maji, T Markovich, ER Bittner The Journal of Physical Chemistry A 114 (32), 8202-8216, 2010 | 19 | 2010 |
| More accurate and efficient bath spectral densities from super-resolution T Markovich, SM Blau, J Parkhill, C Kreisbeck, JN Sanders, X Andrade, ... arXiv preprint arXiv:1307.4407, 2013 | 14 | 2013 |
| NN-Embed: Locally Smoothed Embedding Mixtures for Multi-interest Candidate Retrieval A El-Kishky, T Markovich, K Leung, F Portman, A Haghighi, Y Xiao Pacific-Asia Conference on Knowledge Discovery and Data Mining, 374-386, 2023 | 12 | 2023 |
| Graph Neural Networks as Gradient Flows: understanding graph convolutions via energy F Di Giovanni, J Rowbottom, BP Chamberlain, T Markovich, MM Bronstein arXiv preprint arXiv:2206.10991, 2022 | 12 | 2022 |
| A correlated-polaron electronic propagator: Open electronic dynamics beyond the Born-Oppenheimer approximation JA Parkhill, T Markovich, DG Tempel, A Aspuru-Guzik The Journal of chemical physics 137 (22), 2012 | 11 | 2012 |
| Adiabatic switching approach to multidimensional supersymmetric quantum mechanics for several excited states CC Chou, T Markovich, DJ Kouri Molecular Physics 110 (23), 2977-2986, 2012 | 11 | 2012 |
| The Heisenberg− Weyl Algebra on the Circle and a Related Quantum Mechanical Model for Hindered Rotation DJ Kouri, T Markovich, N Maxwell, BG Bodmann The Journal of Physical Chemistry A 113 (26), 7698-7705, 2009 | 11 | 2009 |
| Benchmarking compressed sensing, super‐resolution, and filter diagonalization T Markovich, SM Blau, JN Sanders, A Aspuru‐Guzik International Journal of Quantum Chemistry 116 (14), 1097-1106, 2016 | 9 | 2016 |
| Reply to “Comment on'New Generalization of Supersymmetric Quantum Mechanics to Arbitrary Dimensionality or Number of Distinguishable Particles'” DJ Kouri, K Maji, T Markovich, ER Bittner The Journal of Physical Chemistry A 115 (5), 950-950, 2011 | 8 | 2011 |
| Accelerating the computation of bath spectral densities with super-resolution T Markovich, SM Blau, J Parkhill, C Kreisbeck, JN Sanders, X Andrade, ... Theoretical Chemistry Accounts 135, 1-8, 2016 | 5 | 2016 |
| Calibration of the many-body dispersion range-separation parameter T Markovich, MA Blood-Forsythe, D Rappoport, D Kim, A Aspuru-Guzik arXiv preprint arXiv:1605.04987, 2016 | 4 | 2016 |
| QDC: Quantum diffusion convolution kernels on graphs T Markovich arXiv preprint arXiv:2307.11234, 2023 | 3 | 2023 |
| Causally-guided regularization of graph attention improves generalizability AP Wu, T Markovich, B Berger, N Hammerla, R Singh arXiv preprint arXiv:2210.10946, 2022 | 3 | 2022 |
Alan Aspuru-GuzikProfessor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)Verified email at utoronto.ca
