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    • Alan Aspuru-Guzik

    35 results in Authors: Alan Aspuru-Guzik

    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    The Matter Simulation (R)evolution

    , Authors: Alan Aspuru-Guzik, Roland Lindh, Markus Reiher
    1,610
    Downloads
    Category: Physical Chemistry
    ,
    Working Paper
    , Title:

    Molecular Engineering of an Alkaline Naphthoquinone Flow Battery

    , Authors: Liuchuan Tong, Marc-Antoni Goulet, Daniel P. Tabor, Emily F. Kerr, Diana De Porcellinis, Eric M. Fell, Alan Aspuru-Guzik, Roy G. Gordon, Michael J. Aziz
    1,093
    Downloads
    Category: Materials Chemistry
    ,
    Working Paper
    , Title:

    Routescore: Punching the Ticket to More Efficient Materials Development

    , Authors: Martin Seifrid, Riley J. Hickman, Andrés Aguilar-Granda, Cyrille Lavigne, Jenya Vestfrid, Tony C. Wu, Théophile Gaudin, Emily J. Hopkins, Alán Aspuru-Guzik
    726
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Predicting Feasible Organic Reaction Pathways Using Heuristically Aided Quantum Chemistry

    , Authors: Dmitrij Rappoport, Alan Aspuru-Guzik
    1,322
    Downloads
    2
    Citations
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Theoretical and Experimental Investigation of the Stability Limits of Quinones in Aqueous Media: Implications for Organic Aqueous Redox Flow Batteries

    , Authors: Daniel P. Tabor, Rafael Gomez-Bombarelli, Liuchuan Tong, Roy G. Gordon, Michael J. Aziz, Alan Aspuru-Guzik
    1,649
    Downloads
    5
    Citations
    Category: Nanoscience
    ,
    Working Paper
    , Title:

    Frank-van der Merwe Growth in Bilayer Graphene

    , Authors: Haozhe Wang, Zhenpeng Yao, Gang Seob Jung, Qichen Song, Marek Hempel, Tomas Palacios, Gang Chen, Markus J. Buehler, Alan Aspuru-Guzik, Jing Kong
    1,349
    Downloads
    Category: Physical Chemistry
    ,
    Working Paper
    , Title:

    Excitonics: A universal set of binary gates for molecular exciton processing and signaling

    , Authors: Nicolas Sawaya, Dmitrij Rappoport, Daniel Tabor, Alan Aspuru-Guzik
    1,349
    Downloads
    2
    Citations
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Chimera: Enabling Hierarchy Based Multi-Objective Optimization for Self-Driving Laboratories

    , Authors: Florian Häse, Loic Roch, Alan Aspuru-Guzik
    1,224
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    A Molecular Computing Approach to Solving Optimization Problems via Programmable Microdroplet Arrays

    , Authors: Si Yue Guo, Pascal Friederich, Yudong Cao, Tony Wu, Christopher Forman, Douglas Mendoza, Matthias Degroote, Andrew Cavell, Veronica Krasecki, Riley Hickman, Abhishek Sharma, Leroy Cronin, Nathan Gianneschi, Randall Goldsmith, Alan Aspuru-Guzik
    1,340
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    ChemOS: An Orchestration Software to Democratize Autonomous Discovery

    , Authors: Loı̈c M. Roch, Florian Häse, Christoph Kreisbeck, Teresa Tamayo-Mendoza, Lars P. E. Yunker, Jason E. Hein, Alan Aspuru-Guzik
    4,712
    Downloads
    4
    Citations