Data-driven strategies for accelerated materials design R Pollice, G dos Passos Gomes, M Aldeghi, RJ Hickman, M Krenn, ... Accounts of Chemical Research 54 (4), 849-860, 2021 | 307 | 2021 |
Organic molecules with inverted gaps between first excited singlet and triplet states and appreciable fluorescence rates R Pollice, P Friederich, C Lavigne, G dos Passos Gomes, A Aspuru-Guzik Matter 4 (5), 1654-1682, 2021 | 110 | 2021 |
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 | 90 | 2021 |
Reversible long range network formation in gold nanoparticle-nematic liquid crystal composites J Milette, SJ Cowling, V Toader, C Lavigne, IM Saez, RB Lennox, ... Soft Matter 8 (1), 173-179, 2012 | 89 | 2012 |
Reversible long-range patterning of gold nanoparticles by smectic liquid crystals J Milette, S Relaix, C Lavigne, V Toader, SJ Cowling, IM Saez, RB Lennox, ... Soft Matter 8 (24), 6593-6598, 2012 | 71 | 2012 |
Delocalized, asynchronous, closed-loop discovery of organic laser emitters F Strieth-Kalthoff, H Hao, V Rathore, J Derasp, T Gaudin, NH Angello, ... Science 384 (6697), eadk9227, 2024 | 39 | 2024 |
A materials acceleration platform for organic laser discovery TC Wu, A Aguilar‐Granda, K Hotta, SA Yazdani, R Pollice, J Vestfrid, ... Advanced Materials 35 (6), 2207070, 2023 | 32 | 2023 |
Routescore: punching the ticket to more efficient materials development M Seifrid, RJ Hickman, A Aguilar-Granda, C Lavigne, J Vestfrid, TC Wu, ... ACS Central Science 8 (1), 122-131, 2022 | 18 | 2022 |
Ultrafast Computational Screening of Molecules with Inverted Singlet–Triplet Energy Gaps Using the Pariser–Parr–Pople Semiempirical Quantum Chemistry Method K Jorner, R Pollice, C Lavigne, A Aspuru-Guzik The Journal of Physical Chemistry A 128 (12), 2445-2456, 2024 | 14 | 2024 |
Toward quantum computing with molecular electronics PWK Jensen, LB Kristensen, C Lavigne, A Aspuru-Guzik Journal of Chemical Theory and Computation 18 (6), 3318-3326, 2022 | 14 | 2022 |
Multiple interfaces in diffusional phase transitions in binary mesogen-nonmesogen mixtures undergoing metastable phase separations ER Soulé, C Lavigne, L Reven, AD Rey Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 86 (1 …, 2012 | 12 | 2012 |
Boramidine: A Versatile Structural Motif for the Design of Fluorescent Heterocycles Y Lebedev, C Apte, S Cheng, C Lavigne, A Lough, A Aspuru-Guzik, ... Journal of the American Chemical Society 142 (31), 13544-13549, 2020 | 10 | 2020 |
Interfering resonance as an underlying mechanism in the adaptive feedback control of radiationless transitions: Retinal isomerization C Lavigne, P Brumer The Journal of chemical physics 147 (11), 2017 | 9 | 2017 |
Automatic discovery of chemical reactions using imposed activation C Lavigne, G dos Passos Gomes, R Pollice, A Aspuru-Guzik | 6 | 2020 |
Pulsed two-photon coherent control of channelrhodopsin-2 photocurrent in live brain cells C Lavigne, P Brumer The Journal of Chemical Physics 153 (3), 2020 | 5 | 2020 |
Guided discovery of chemical reaction pathways with imposed activation C Lavigne, G Gomes, R Pollice, A Aspuru-Guzik Chemical Science 13 (46), 13857-13871, 2022 | 4 | 2022 |
funsies: A minimalist, distributed and dynamic workflow engine C Lavigne, A Aspuru-Guzik Journal of Open Source Software 6 (66), 3274, 2021 | 2 | 2021 |
Considerations regarding one-photon phase control C Lavigne, P Brumer arXiv preprint arXiv:1910.13878, 2019 | 2 | 2019 |
A Materials Acceleration Platform for Organic Laser Discovery (Adv. Mater. 6/2023) TC Wu, A Aguilar‐Granda, K Hotta, SA Yazdani, R Pollice, J Vestfrid, ... Advanced Materials 35 (6), 2370042, 2023 | 1 | 2023 |
An efficient spectral method for numerical time-dependent perturbation theory C Lavigne, P Brumer The Journal of Chemical Physics 151 (14), 2019 | 1 | 2019 |