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Gary Tom
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SELFIES and the future of molecular string representations
M Krenn, Q Ai, S Barthel, N Carson, A Frei, NC Frey, P Friederich, ...
Patterns 3 (10), 2022
952022
Room temperature strain-induced Landau levels in graphene on a wafer-scale platform
P Nigge, AC Qu, É Lantagne-Hurtubise, E Mårsell, S Link, G Tom, ...
Science advances 5 (11), eaaw5593, 2019
822019
Polymer dots with enhanced photostability, quantum yield, and two-photon cross-section using structurally constrained deep-blue fluorophores
DM Mayder, CM Tonge, GD Nguyen, MV Tran, G Tom, GH Darwish, ...
Journal of the American Chemical Society 143 (41), 16976-16992, 2021
292021
GAUCHE: A Library for Gaussian Processes in Chemistry
RR Griffiths, L Klarner, HB Moss, A Ravuri, S Truong, S Stanton, G Tom, ...
arXiv preprint arXiv:2212.04450, 2022
222022
Design of High-Performance Thermally Activated Delayed Fluorescence Emitters Containing s-Triazine and s-Heptazine with Molecular Orbital Visualization by STM
DM Mayder, CM Tonge, GD Nguyen, R Hojo, NR Paisley, J Yu, G Tom, ...
Chemistry of Materials 34 (6), 2624-2635, 2022
182022
Calibration and generalizability of probabilistic models on low-data chemical datasets with DIONYSUS
G Tom, RJ Hickman, A Zinzuwadia, A Mohajeri, B Sanchez-Lengeling, ...
Digital Discovery 2, 759-774, 2023
172023
Molecularly resolved electronic landscapes of differing acceptor–donor interface geometries
KA Cochrane, TS Roussy, B Yuan, G Tom, E Mårsell, SA Burke
The Journal of Physical Chemistry C 122 (15), 8437-8444, 2018
172018
Tartarus: A benchmarking platform for realistic and practical inverse molecular design
AK Nigam, R Pollice, G Tom, K Jorner, J Willes, L Thiede, A Kundaje, ...
Advances in Neural Information Processing Systems 36, 3263-3306, 2023
122023
Small molecule binding to surface-supported single-site transition-metal reaction centres
M DeJong, AJA Price, E Mårsell, G Tom, GD Nguyen, ER Johnson, ...
Nature Communications 13 (1), 7407, 2022
42022
Self-Driving Laboratories for Chemistry and Materials Science
G Tom, SP Schmid, SG Baird, Y Cao, K Darvish, H Hao, S Lo, ...
32024
Machine Learning Guided AQFEP: A Fast & Efficient Absolute Free Energy Perturbation Solution for Virtual Screening
JE Crivelli-Decker, Z Beckwith, G Tom, L Le, S Khuttan, R Salomon-Ferrer, ...
22023
In silico chemical experiments in the Age of AI: From quantum chemistry to machine learning and back
A Aldossary, JA Campos‐Gonzalez‐Angulo, S Pablo‐García, SX Leong, ...
Advanced Materials, 2402369, 2024
12024
Assessing multi-objective optimization of molecules with genetic algorithms against relevant baselines
N Kusanda, G Tom, R Hickman, AK Nigam, K Jorner, A Aspuru-Guzik
AI for Accelerated Materials Design NeurIPS 2022 Workshop, 2022
12022
Towards the Prediction of Drug Solubility in Binary Solvent Mixtures at Various Temperatures Using Machine Learning
Z Bao, G Tom, A Cheng, A Aspuru-Guzik, C Allen
2024
Beyond Molecular Structure: Critically Assessing Machine Learning for Designing Organic Photovoltaic Materials and Devices
M Seifrid, S Lo, DG Choi, G Tom, ML Le, K Li, R Sankar, HT Vuong, ...
Journal of Materials Chemistry A, 2024
2024
SELFIES and the future of molecular string representations
M Krenn, Q Ai, S Barthel, N Carson, A Frei, NC Frey, P Friederich, ...
Patterns 3 (10), 1-27, 2022
2022
Exponential Advantages in Quantum Machine Learning through Feature Mapping
A Nader, K Oppenheimer, G Tom
2020
Scanning tunneling microscopy study of atomistic energy level engineering in donor-acceptor molecules
G Nguyen, G Tom, C Tonge, Z Hudson, S Burke
Bulletin of the American Physical Society 65, 2020
2020
Scanning probe study of organic semiconducting molecules
G Tom
University of British Columbia, 2020
2020
Room temperature strain-induced quantum Hall effect in graphene on a wafer-scale platform
P Nigge, AC Qu, E Lantagne-Hurtubise, E Mårsell, S Link, G Tom, ...
arXiv preprint arXiv:1902.00514, 2019
2019
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