| Biological sequence design with gflownets M Jain, E Bengio, A Hernandez-Garcia, J Rector-Brooks, BFP Dossou, ... International Conference on Machine Learning, 9786-9801, 2022 | 166 | 2022 |
| Charge transport in molecular junctions: From tunneling to hopping with the probe technique M Kilgour, D Segal The Journal of Chemical Physics 143 (2), 2015 | 71 | 2015 |
| Coherence and decoherence in quantum absorption refrigerators M Kilgour, D Segal Physical Review E 98 (1), 012117, 2018 | 62 | 2018 |
| Path-integral methodology and simulations of quantum thermal transport: Full counting statistics approach M Kilgour, BK Agarwalla, D Segal The Journal of Chemical Physics 150 (8), 2019 | 46 | 2019 |
| Intermediate coherent–incoherent charge transport: DNA as a case study H Kim, M Kilgour, D Segal The Journal of Physical Chemistry C 120 (42), 23951-23962, 2016 | 33 | 2016 |
| Thermopower of molecular junctions: Tunneling to hopping crossover in DNA R Korol, M Kilgour, D Segal The Journal of chemical physics 145 (22), 2016 | 32 | 2016 |
| Inelastic effects in molecular transport junctions: The probe technique at high bias M Kilgour, D Segal The Journal of Chemical Physics 144 (12), 2016 | 30 | 2016 |
| Tunneling diodes under environmental effects M Kilgour, D Segal The Journal of Physical Chemistry C 119 (45), 25291-25297, 2015 | 21 | 2015 |
| Generating multiscale amorphous molecular structures using deep learning: a study in 2D M Kilgour, N Gastellu, DYT Hui, Y Bengio, L Simine The Journal of Physical Chemistry Letters 11 (20), 8532-8537, 2020 | 17 | 2020 |
| ProbeZT: Simulation of transport coefficients of molecular electronic junctions under environmental effects using Büttiker’s probes R Korol, M Kilgour, D Segal Computer Physics Communications 224, 396-404, 2018 | 17 | 2018 |
| Geometric deep learning for molecular crystal structure prediction M Kilgour, J Rogal, M Tuckerman Journal of chemical theory and computation 19 (14), 4743-4756, 2023 | 13 | 2023 |
| E2EDNA: Simulation Protocol for DNA Aptamers with Ligands M Kilgour, T Liu, B Walker, P Ren, L Simine | 12 | 2021 |
| Simulations of disordered matter in 3D with the morphological autoregressive protocol (MAP) and convolutional neural networks A Madanchi, M Kilgour, F Zysk, TD Kühne, L Simine The Journal of Chemical Physics 160 (2), 2024 | 5 | 2024 |
| Electronic conduction through monolayer amorphous carbon nanojunctions N Gastellu, M Kilgour, L Simine The Journal of Physical Chemistry Letters 13 (1), 339-344, 2022 | 5 | 2022 |
| Diversifying design of nucleic acid aptamers using unsupervised machine learning S Moussa, M Kilgour, C Jans, A Hernandez-Garcia, M Cuperlovic-Culf, ... The Journal of Physical Chemistry B 127 (1), 62-68, 2022 | 4 | 2022 |
| Machine learning classification of local environments in molecular crystals D Kuroshima, M Kilgour, ME Tuckerman, J Rogal Journal of chemical theory and computation 20 (14), 6197-6206, 2024 | 2 | 2024 |
| E2EDNA 2.0: Python Pipeline for Simulating DNA Aptamers with Ligands M Kilgour, T Liu, IS Dementyev, L Simine Journal of Open Source Software 7 (73), 4182, 2022 | 1 | 2022 |
| Inside the black box: A physical basis for the effectiveness of deep generative models of amorphous materials M Kilgour, L Simine Journal of Computational Physics 452, 110885, 2022 | 1 | 2022 |
| Multi-Type Point Cloud Autoencoder: A Complete Equivariant Embedding for Molecule Conformation and Pose M Kilgour, M Tuckerman, J Rogal arXiv preprint arXiv:2405.13791, 2024 | | 2024 |
| Theory of Charge and Heat Transport Mechanisms in Nanodevices M Kilgour University of Toronto (Canada), 2019 | | 2019 |
Dvira SegalProfessor of Chemistry, University of TorontoVerified email at utoronto.ca
