Works by Aspuru-Guzik, Alán

Results: 67
    1
    2

    An artificial spiking quantum neuron.

    Published in:
    NPJ Quantum Information, 2021, v. 7, n. 1, p. 1, doi. 10.1038/s41534-021-00381-7
    By:
    • Kristensen, Lasse Bjørn;
    • Degroote, Matthias;
    • Wittek, Peter;
    • Aspuru-Guzik, Alán;
    • Zinner, Nikolaj T.
    Publication type:
    Article
    3
    4
    5
    6

    Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models.

    Published in:
    Frontiers in Pharmacology, 2020, v. 11, p. N.PAG, doi. 10.3389/fphar.2020.565644
    By:
    • Polykovskiy, Daniil;
    • Zhebrak, Alexander;
    • Sanchez-Lengeling, Benjamin;
    • Golovanov, Sergey;
    • Tatanov, Oktai;
    • Belyaev, Stanislav;
    • Kurbanov, Rauf;
    • Artamonov, Aleksey;
    • Aladinskiy, Vladimir;
    • Veselov, Mark;
    • Kadurin, Artur;
    • Johansson, Simon;
    • Chen, Hongming;
    • Nikolenko, Sergey;
    • Aspuru-Guzik, Alán;
    • Zhavoronkov, Alex
    Publication type:
    Article
    7

    qTorch: The quantum tensor contraction handler.

    Published in:
    PLoS ONE, 2018, v. 13, n. 12, p. 1, doi. 10.1371/journal.pone.0208510
    By:
    • Fried, E. Schuyler;
    • Sawaya, Nicolas P. D.;
    • Cao, Yudong;
    • Kivlichan, Ian D.;
    • Romero, Jhonathan;
    • Aspuru-Guzik, Alán
    Publication type:
    Article
    8

    Zori 1.0: A parallel quantum Monte Carlo electronic structure package.

    Published in:
    Journal of Computational Chemistry, 2005, v. 26, n. 8, p. 856, doi. 10.1002/jcc.20215
    By:
    • Aspuru-Guzik, Alán;
    • Salomón-Ferrer, Romelia;
    • Austin, Brian;
    • Perusquía-Flores, Raul;
    • Griffin, Mary A.;
    • Oliva, Ricardo A.;
    • Skinner, David;
    • Domin, Dominik;
    • Lester Jr., William A.
    Publication type:
    Article
    9
    10
    11
    12
    13

    A Bayesian Approach to Predict Solubility Parameters.

    Published in:
    Advanced Theory & Simulations, 2019, v. 2, n. 1, p. N.PAG, doi. 10.1002/adts.201800069
    By:
    • Sanchez‐Lengeling, Benjamin;
    • Roch, Loïc M.;
    • Perea, José Darío;
    • Langner, Stefan;
    • Brabec, Christoph J.;
    • Aspuru‐Guzik, Alán
    Publication type:
    Article
    14
    15
    16
    17
    18
    19
    20
    21
    22
    23
    24
    25

    A Nanophotonic Structure Containing Living Photosynthetic Bacteria.

    Published in:
    Small, 2017, v. 13, n. 38, p. n/a, doi. 10.1002/smll.201701777
    By:
    • Coles, David;
    • Flatten, Lucas C.;
    • Sydney, Thomas;
    • Hounslow, Emily;
    • Saikin, Semion K.;
    • Aspuru‐Guzik, Alán;
    • Vedral, Vlatko;
    • Tang, Joseph Kuo‐Hsiang;
    • Taylor, Robert A.;
    • Smith, Jason M.;
    • Lidzey, David G.
    Publication type:
    Article
    26
    27

    Assigning confidence to molecular property prediction.

    Published in:
    Expert Opinion on Drug Discovery, 2021, v. 16, n. 9, p. 1009, doi. 10.1080/17460441.2021.1925247
    By:
    • Nigam, AkshatKumar;
    • Pollice, Robert;
    • Hurley, Matthew F. D.;
    • Hickman, Riley J.;
    • Aldeghi, Matteo;
    • Yoshikawa, Naruki;
    • Chithrananda, Seyone;
    • Voelz, Vincent A.;
    • Aspuru-Guzik, Alán
    Publication type:
    Article
    28

    Boson sampling for molecular vibronic spectra.

    Published in:
    Nature Photonics, 2015, v. 9, n. 9, p. 615, doi. 10.1038/nphoton.2015.153
    By:
    • Huh, Joonsuk;
    • Guerreschi, Gian Giacomo;
    • Peropadre, Borja;
    • McClean, Jarrod R.;
    • Aspuru-Guzik, Alán
    Publication type:
    Article
    29
    30
    31

    Photonic quantum simulators.

    Published in:
    Nature Physics, 2012, v. 8, n. 4, p. 285, doi. 10.1038/nphys2253
    By:
    • Aspuru-Guzik, Alán;
    • Walther, Philip
    Publication type:
    Article
    32

    Data-science driven autonomous process optimization.

    Published in:
    Communications Chemistry, 2021, v. 4, n. 1, p. 1, doi. 10.1038/s42004-021-00550-x
    By:
    • Christensen, Melodie;
    • Yunker, Lars P. E.;
    • Adedeji, Folarin;
    • Häse, Florian;
    • Roch, Loïc M.;
    • Gensch, Tobias;
    • dos Passos Gomes, Gabriel;
    • Zepel, Tara;
    • Sigman, Matthew S.;
    • Aspuru-Guzik, Alán;
    • Hein, Jason E.
    Publication type:
    Article
    33
    34
    35
    36
    37
    38

    Constructing Na‐Ion Cathodes via Alkali‐Site Substitution.

    Published in:
    Advanced Functional Materials, 2020, v. 30, n. 17, p. 1, doi. 10.1002/adfm.201910840
    By:
    • Zhao, Chenglong;
    • Yao, Zhenpeng;
    • Zhou, Dong;
    • Jiang, Liwei;
    • Wang, Jianlin;
    • Murzin, Vadim;
    • Lu, Yaxiang;
    • Bai, Xuedong;
    • Aspuru‐Guzik, Alán;
    • Chen, Liquan;
    • Hu, Yong‐Sheng
    Publication type:
    Article
    39

    An Alternative Host Material for Long-Lifespan Blue Organic Light-Emitting Diodes Using Thermally Activated Delayed Fluorescence.

    Published in:
    Advanced Science, 2017, v. 4, n. 8, p. n/a, doi. 10.1002/advs.201600502
    By:
    • Ihn, Soo-Ghang;
    • Lee, Namheon;
    • Jeon, Soon Ok;
    • Sim, Myungsun;
    • Kang, Hosuk;
    • Jung, Yongsik;
    • Huh, Dal Ho;
    • Son, Young Mok;
    • Lee, Sae Youn;
    • Numata, Masaki;
    • Miyazaki, Hiroshi;
    • Gómez-Bombarelli, Rafael;
    • Aguilera-Iparraguirre, Jorge;
    • Hirzel, Timothy;
    • Aspuru-Guzik, Alán;
    • Kim, Sunghan;
    • Lee, Sangyoon
    Publication type:
    Article
    40

    Quantum Coherences as a Thermodynamic Potential.

    Published in:
    Open Systems & Information Dynamics (OSID), 2019, v. 26, n. 4, p. N.PAG, doi. 10.1142/S1230161219500227
    By:
    • Rodríguez-Rosario, César A.;
    • Frauenheim, Thomas;
    • Aspuru-Guzik, Alán
    Publication type:
    Article
    41
    42
    43
    44
    45
    46
    47
    48
    49

    Performance Prediction of High‐Entropy Perovskites La<sub>0.8</sub>Sr<sub>0.2</sub>Mn<sub>x</sub>Co<sub>y</sub>Fe<sub>z</sub>O<sub>3</sub> with Automated High‐Throughput Characterization of Combinatorial Libraries and Machine Learning.

    Published in:
    Advanced Materials, 2024, v. 36, n. 50, p. 1, doi. 10.1002/adma.202407372
    By:
    • Bozal‐Ginesta, Carlota;
    • Sirvent, Juande;
    • Cordaro, Giulio;
    • Fearn, Sarah;
    • Pablo‐García, Sergio;
    • Chiabrera, Francesco;
    • Choi, Changhyeok;
    • Laa, Lisa;
    • Núñez, Marc;
    • Cavallaro, Andrea;
    • Buzi, Fjorelo;
    • Aguadero, Ainara;
    • Dezanneau, Guilhem;
    • Kilner, John;
    • Morata, Alex;
    • Baiutti, Federico;
    • Aspuru‐Guzik, Alán;
    • Tarancón, Albert
    Publication type:
    Article
    50