| ChemOS: orchestrating autonomous experimentation LM Roch, F Häse, C Kreisbeck, T Tamayo-Mendoza, LPE Yunker, ... Science Robotics 3 (19), eaat5559, 2018 | 166 | 2018 |
| ChemOS: An orchestration software to democratize autonomous discovery Loïc M. Roch, Florian Häse, Christoph Kreisbeck, Teresa Tamayo-Mendoza, Lars ... PLoS ONE 15 (4), e0229862, 2020 | 155* | 2020 |
| Automatic differentiation in quantum chemistry with applications to fully variational Hartree–Fock T Tamayo-Mendoza, C Kreisbeck, R Lindh, A Aspuru-Guzik ACS central science 4 (5), 559-566, 2018 | 113 | 2018 |
| Tequila: A platform for rapid development of quantum algorithms JS Kottmann, S Alperin-Lea, T Tamayo-Mendoza, A Cervera-Lierta, ... Quantum Science and Technology 6 (2), 024009, 2021 | 93 | 2021 |
| # COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol A Dommer, L Casalino, F Kearns, M Rosenfeld, N Wauer, SH Ahn, ... The international journal of high performance computing applications 37 (1 …, 2023 | 80 | 2023 |
| Reducing qubit requirements while maintaining numerical precision for the variational quantum eigensolver: A basis-set-free approach JS Kottmann, P Schleich, T Tamayo-Mendoza, A Aspuru-Guzik The Journal of Physical Chemistry Letters 12 (1), 663-673, 2021 | 59 | 2021 |
| Team-based learning for scientific computing and automated experimentation: visualization of colored reactions S Vargas, S Zamirpour, S Menon, A Rothman, F Häse, ... Journal of Chemical Education 97 (3), 689-694, 2020 | 28 | 2020 |
| Differentiable quantum computational chemistry with PennyLane JM Arrazola, S Jahangiri, A Delgado, J Ceroni, J Izaac, A Száva, U Azad, ... arXiv preprint arXiv:2111.09967, 2021 | 25 | 2021 |
| Symbolic Algebra Development for Higher-Order Electron Propagator Formulation and Implementation T Tamayo-Mendoza, R Flores-Moreno Journal of Chemical Theory and Computation 10 (6), 2363-2370, 2014 | 9 | 2014 |
| Frontiers in nonviral delivery of small molecule and genetic drugs, driven by polymer chemistry and machine learning for materials informatics JM Ting, T Tamayo-Mendoza, SR Petersen, J Van Reet, UA Ahmed, ... Chemical Communications 59 (96), 14197-14209, 2023 | 3 | 2023 |
| Predictive design of multimonomeric polyelectrolytes enables lung-specific gene delivery JM Ting, JD Fisher, T Conyers, S Patil, CG Robohn, T Tamayo-Mendoza, ... Polymer Chemistry, 2024 | 1 | 2024 |
| Automatic differentiation in quantum chemistry T Tamayo Mendoza Harvard University, 2021 | 1 | 2021 |
| Autonomous titration for chemistry classrooms: preparing students for digitized chemistry laboratories F Häse, T Tamayo-Mendoza, C Boixo, J Romero, L Roch, A Aspuru-Guzik | 1 | 2020 |
| 299 Machine learning-driven design of mRNA delivery vehicles for in vivo T cell therapies A Nascimento, NJ Snell, JM Ting, S Petersen, J Van Reet, S Patil, ... Journal for ImmunoTherapy of Cancer 12 (Suppl 2), 2024 | | 2024 |
| DIrectly Determined Pair-Natural Orbitals and their implications on Quantum Algorithms for Chemistry J Kottmann, P Schleich, T Tamayo-Mendoza, A Aspuru-Guzik APS March Meeting Abstracts 2021, X25. 001, 2021 | | 2021 |
| ChemOS: Paving the way for autonomous experimentation L Roch, F Hase, C Kreisbeck, T Tamayo-Mendoza, L Yunker, J Hein, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |