A. Aspuru‐Guzik
发表
X. Andrade,
J. N. Sanders,
A. Aspuru‐Guzik,
2012,
Proceedings of the National Academy of Sciences.
M. Yung,
A. Aspuru‐Guzik,
2010,
Proceedings of the National Academy of Sciences.
M. Head‐Gordon,
A. Dutoi,
P. Love,
2005,
Science.
C. Brabec,
A. Aspuru‐Guzik,
Benjamín Sánchez-Lengeling,
2018,
Advanced Theory and Simulations.
Philip Walther,
Borivoje Dakić,
Martin Ringbauer,
2013
.
I. Kassal,
M. Mohseni,
P. Love,
2008,
Proceedings of the National Academy of Sciences.
Masoud Mohseni,
Seth Lloyd,
Patrick Rebentrost,
2008,
0807.0929.
Masoud Mohseni,
Patrick Rebentrost,
Alán Aspuru-Guzik,
2008,
The journal of physical chemistry. B.
J. Whitfield,
M. Yung,
Daniel Nagaj,
2010
.
Xavier Andrade,
Alán Aspuru-Guzik,
X. Andrade,
2016
.
Xavier Andrade,
Roberto Olivares-Amaya,
Michael Stopa,
2011
.
G. Guerreschi,
J. McClean,
A. Aspuru‐Guzik,
2014,
Nature Photonics.
Jonathan Romero,
A. Aspuru‐Guzik,
Pierre-Luc Dallaire-Demers,
2018,
Quantum Science and Technology.
D. Segrè,
J. N. Sanders,
A. Aspuru‐Guzik,
2020
.
Nicolas P. D. Sawaya,
Peter D. Johnson,
M. Wasielewski,
2017,
1706.05413.
S. Kais,
P. Rebentrost,
A. Aspuru‐Guzik,
2010,
The journal of physical chemistry. B.
Samuel G. Rodriques,
S. Kais,
P. Love,
2012,
The Journal of chemical physics.
A. Aspuru‐Guzik,
Stéphanie Valleau,
U. Kleinekathöfer,
2015,
The journal of physical chemistry. B.
S. Lloyd,
M. Mohseni,
P. Rebentrost,
2008,
The Journal of chemical physics.
A. Aspuru‐Guzik,
K. Modi,
C'esar A. Rodr'iguez-Rosario,
2009,
0910.5568.
A. Aspuru‐Guzik,
K. Modi,
C'esar A. Rodr'iguez-Rosario,
2012,
1203.5209.
Nicolas P. D. Sawaya,
A. Aspuru‐Guzik,
R. García-Patrón,
2020,
ACS Photonics.
A. Aspuru‐Guzik,
M. Vacher,
R. Lindh,
2020,
Journal of Physics: Conference Series.
Andrew G. White,
Takuya Kitagawa,
Alessandro Fedrizzi,
2011
.
Sergio Boixo,
James D. Whitfield,
Man-Hong Yung,
2012,
1203.1331.
Michele Ceotto,
Alán Aspuru-Guzik,
Gian Franco Tantardini,
2011,
The Journal of chemical physics.
H. Neven,
J. McClean,
D. Berry,
2020
.
A. Aspuru‐Guzik,
Roberto Olivares-Amaya,
M. Watson,
2016
.
T. Iitaka,
A. Aspuru‐Guzik,
K. Hongo,
2012
.
M. Ceotto,
A. Aspuru‐Guzik,
Stéphanie Valleau,
2011,
The Journal of chemical physics.
Cedric Yen-Yu Lin,
Olivia Di Matteo,
Robert A. Lang,
2021,
2111.09967.
A. Aspuru‐Guzik,
Roel S. Sánchez-Carrera,
J. Navarrete,
2010
.
Mario Krenn,
Jakob S. Kottmann,
Sumner Alperin-Lea,
2020,
Quantum Science and Technology.
Mario Krenn,
A. Aspuru‐Guzik,
Alba Cervera-Lierta,
2021,
ArXiv.
Samuel M. Blau,
John A. Parkhill,
John A Parkhill,
2016,
Theoretical Chemistry Accounts.
Jakob S. Kottmann,
A. Aspuru‐Guzik,
Philipp Schleich,
2021,
Physical chemistry chemical physics : PCCP.
L. B. Kristensen,
Phillip W. K. Jensen,
A. Aspuru‐Guzik,
2022,
Journal of chemical theory and computation.
A. Aspuru‐Guzik,
Dmitrij Rappoport,
Sangwoo Shim,
2011
.
J. Preskill,
G. Scuseria,
J. Whitfield,
2017
.
Gabriel dos Passos Gomes,
Pascal Friederich,
A. Aspuru‐Guzik,
2020,
Matter.
Jakob S. Kottmann,
A. Aspuru‐Guzik,
Abhinav Anand,
2022,
ArXiv.
L. B. Kristensen,
A. Aspuru‐Guzik,
Sukin Sim,
2022,
2207.05149.
Daniel P. Tabor,
A. Aspuru‐Guzik,
E. Sargent,
2018,
Angewandte Chemie.
Mario Krenn,
AkshatKumar Nigam,
A. Aspuru‐Guzik,
2022,
Machine Learning: Science and Technology.
Justin R. Caram,
M. Bawendi,
A. Aspuru‐Guzik,
2019,
1901.01318.
Daniel Flam-Shepherd,
A. Aspuru‐Guzik,
Kevin Zhu,
2022,
Nature communications.
A. Aspuru‐Guzik,
2011
.
X. Andrade,
A. Aspuru‐Guzik,
M. Watson,
2011
.
P. Walther,
A. Aspuru‐Guzik,
2014
.
A. Aspuru‐Guzik,
Sumner Alperin-Lea,
A. Choquette,
2022,
2209.14405.
B. Lanyon,
J. Whitfield,
G. Gillett,
2009
.
Alán Aspuru-Guzik,
Mario Krenn,
AkshatKumar Nigam,
2020,
Mach. Learn. Sci. Technol..
John A. Parkhill,
A. Aspuru‐Guzik,
D. G. Tempel,
2012,
The Journal of chemical physics.
C. Brabec,
A. Aspuru‐Guzik,
Benjamín Sánchez-Lengeling,
2018,
Advanced Theory and Simulations.
Nicolas P. D. Sawaya,
Peter D. Johnson,
M. Wasielewski,
2017,
1706.05413.
Peter D. Johnson,
A. Aspuru‐Guzik,
Sukin Sim,
2018
.
Peter D. Johnson,
A. Aspuru‐Guzik,
Sukin Sim,
2018
.
A. Aspuru‐Guzik,
A. Lvovsky,
E. Tiunov,
2021,
2106.13167.
Daniel Flam-Shepherd,
A. Aspuru‐Guzik,
Kevin Zhu,
2021,
Nature Communications.
B. Grzybowski,
A. Aspuru‐Guzik,
V. Rathore,
2022,
Science.
A. Aspuru‐Guzik,
Micheline B Soley,
T. Kyaw,
2022,
Quantum Science and Technology.
A. Aspuru‐Guzik,
2004
.
A. Aspuru‐Guzik,
J. Krich,
J. Yuen-Zhou,
2012,
The Journal of chemical physics.
I. Kassal,
A. Aspuru‐Guzik,
2012,
1201.5202.
Cher Tian Ser,
A. Aspuru‐Guzik,
K. Jorner,
2022,
Nature Machine Intelligence.
Mario Krenn,
A. Aspuru‐Guzik,
Alba Cervera-Lierta,
2021,
Quantum.
Christoph J. Brabec,
Michael Salvador,
Benjamin Sanchez-Lengeling,
2017
.
Pascal Friederich,
A. Aspuru‐Guzik,
L. Roch,
2020,
Mach. Learn. Sci. Technol..
W. Lester,
A. Aspuru‐Guzik,
2002,
cond-mat/0204486.
Cher Tian Ser,
A. Aspuru‐Guzik,
K. Hotta,
2022,
Accounts of chemical research.
Daniel P. Tabor,
R. Gordon,
A. Aspuru‐Guzik,
2019
.
Guido Falk von Rudorff,
Nathan C Frey,
Senja Barthel,
2022,
Patterns.
Calibration and generalizability of probabilistic models on low-data chemical datasets with DIONYSUS
Riley J. Hickman,
A. Aspuru‐Guzik,
Benjamín Sánchez-Lengeling,
2022,
2212.01574.
A. Aspuru‐Guzik,
C. Kreisbeck,
A. Kerman,
2016,
Quantum Information Processing.
I. Kassal,
M. Mohseni,
P. Rebentrost,
2009
.
G. Guerreschi,
Alán Aspuru-Guzik,
A. Aspuru‐Guzik,
2014,
1407.8183.
A. Aspuru‐Guzik,
Chong Sun,
L. Thiede,
2022,
ArXiv.
D. Rosenberg,
A. Aspuru‐Guzik,
A. Kerman,
2022,
Physical review letters.
R. Santagati,
R. Babbush,
A. Aspuru‐Guzik,
2023,
2301.04114.
Jakob S. Kottmann,
Maurice Weber,
Zhikuan Zhao,
2021,
Physical Review Research.
A. Aspuru‐Guzik,
J. Krich,
J. Yuen-Zhou,
2014
.
Cedric Yen-Yu Lin,
Robert A. Lang,
R. A. Vargas-Hernández,
2021,
2111.09967.
Patrick Rebentrost,
Alán Aspuru-Guzik,
P. Rebentrost,
2009,
The Journal of chemical physics.
Jae Joon Kim,
Janice B. Lin,
K. Houk,
2018
.
Semion K. Saikin,
Alexander Eisfeld,
Alán Aspuru-Guzik,
2013,
1304.0124.
A. Aspuru‐Guzik,
Dmitrij Rappoport,
S. Saikin,
2014,
The journal of physical chemistry. A.
Pascal Friederich,
A. Aspuru‐Guzik,
Gabriel dos Passos Gomes,
2020,
Chemical science.
Sungwon Kim,
Yousung Jung,
Juhwan Noh,
2020,
ACS central science.
W. Lester,
A. Aspuru‐Guzik,
C. Amador-Bedolla,
2007,
The Journal of chemical physics.
William A. Lester,
Alán Aspuru-Guzik,
W. Lester,
2004
.
Daniel Flam-Shepherd,
Al'an Aspuru-Guzik,
Kevin Zhu,
2021,
ArXiv.
Pavel A. Dub,
Jakob S. Kottmann,
A. Aspuru‐Guzik,
2023,
2303.01221.
Jiujun Zhang,
A. Aspuru‐Guzik,
Yufeng Zhao,
2020,
Journal of Energy Chemistry.
Chenglong Zhao,
Yaxiang Lu,
Yong‐Sheng Hu,
2020,
Advanced Functional Materials.
Samuel M. Blau,
Zhenan Bao,
A. Aspuru‐Guzik,
2018,
Chemical science.
Gryffin: An algorithm for Bayesian optimization for categorical variables informed by physical intuition with applications to chemistry
pdf
Florian Häse,
Alán Aspuru-Guzik,
Loïc M. Roch,
2020,
ArXiv.
A. Aspuru‐Guzik,
D. Major,
F. Häse,
2019,
ACS catalysis.
A. Aspuru‐Guzik,
L. A. Pachón,
H. Marcus,
2018
.
A. Aspuru‐Guzik,
L. A. Pachón,
A. Marcus,
2015
.
A. Aspuru‐Guzik,
Bingkun Guo,
Yingchun Cheng,
2020
.
Self‐Driving Platform for Metal Nanoparticle Synthesis: Combining Microfluidics and Machine Learning
E. Kumacheva,
A. Aspuru‐Guzik,
S. Kheiri,
2021,
Advanced Functional Materials.
A. Aspuru‐Guzik,
B. Peropadre,
A. Relaño,
2015,
Physical Review E.
J. McClean,
P. Love,
R. Babbush,
2017,
Quantum Science and Technology.
Jakob S. Kottmann,
Phillip W. K. Jensen,
A. Aspuru‐Guzik,
2021,
Chemical Society reviews.
Chuan-Feng Li,
M. Yung,
Zheng-Wei Zhou,
2014,
Nature Photonics.
Jakob S. Kottmann,
Thi Ha Kyaw,
Matthias Degroote,
2020,
Quantum Science and Technology.
A. Aspuru‐Guzik,
F. Häse,
A. Kerman,
2021,
npj Quantum Information.
Jakob S. Kottmann,
Matthias Degroote,
Thi Ha Kyaw,
2020,
Quantum Science and Technology.
Gian Giacomo Guerreschi,
Nicolas P. D. Sawaya,
Sukin Sim,
2020,
2006.03070.
Andrew G. White,
I. Kassal,
Alán Aspuru-Guzik,
2011,
Nature Communications.
Jakob S. Kottmann,
A. Aspuru‐Guzik,
2021,
Physical Review A.
L. B. Kristensen,
Jakob S. Kottmann,
Al'an Aspuru-Guzik,
2020,
Quantum Science and Technology.
Experimental demonstration of a quantum generative adversarial network for continuous distributions
pdf
Abhinav Anand,
Jonathan Romero,
Matthias Degroote,
2020,
ArXiv.
Peter D. Johnson,
A. Aspuru‐Guzik,
Sukin Sim,
2018
.
M. Ceotto,
A. Aspuru‐Guzik,
G. F. Tantardini,
2009,
The Journal of chemical physics.
Mario Krenn,
A. Aspuru‐Guzik,
A. Galda,
2021,
Physical Review Applied.
Jakob S. Kottmann,
A. Aspuru‐Guzik,
T. Kyaw,
2020,
Quantum Science and Technology.
Daniel Flam-Shepherd,
A. Aspuru‐Guzik,
A. Zhigalin,
2022,
ArXiv.
P. V. von Hippel,
A. Perdomo-Ortiz,
A. Aspuru‐Guzik,
2012,
Nucleic acids research.
Peter J. Love,
Peter Shadbolt,
Man-Hong Yung,
2018
.
A. Aspuru‐Guzik,
M. Watson,
D. G. Tempel,
2010,
The Journal of chemical physics.
Christoph Kreisbeck,
Florian Häse,
Alán Aspuru-Guzik,
2017,
Chemical science.
I. Ovcharenko,
W. Lester,
A. Aspuru‐Guzik,
2001
.
Alejandro Perdomo-Ortiz,
Andrew H Marcus,
Alán Aspuru-Guzik,
2012,
The journal of physical chemistry. B.
A. Aspuru‐Guzik,
Mohsen Bagherimehrab,
Kouhei Nakaji,
2023,
2302.14811.
A. Aspuru‐Guzik,
Kouhei Nakaji,
Zi-Jian Zhang,
2023,
2305.02439.
Wei Zhu,
Alán Aspuru-Guzik,
A. Aliper,
2023,
Chemical science.
Daniel Flam-Shepherd,
A. Aspuru‐Guzik,
T. Kyaw,
2022,
Physical Review A.
Daniel Flam-Shepherd,
A. Aspuru‐Guzik,
T. Kyaw,
2021,
ArXiv.
A. Aspuru‐Guzik,
Sangwoo Shim,
2012,
The Journal of chemical physics.
J. Kong,
M. Buehler,
A. Aspuru‐Guzik,
2021
.
A. Aspuru‐Guzik,
S. Eppel,
HaoPing Xu,
2022,
Digital Discovery.
P. Rebentrost,
A. Aspuru‐Guzik,
Stéphanie Valleau,
2011,
Biophysical journal.
A. Aspuru‐Guzik,
W. Strunz,
A. Eisfeld,
2011,
1108.3452.
A. Aspuru‐Guzik,
Chong Sun,
L. Thiede,
2022,
ArXiv.
A. Aspuru‐Guzik,
Stéphanie Valleau,
A. Eisfeld,
2012,
The Journal of chemical physics.
A. Aspuru‐Guzik,
Dmitrij Rappoport,
S. Saikin,
2009,
Physical chemistry chemical physics : PCCP.
Rommie E. Amaro,
Christina M. Payne,
M. Head‐Gordon,
2022,
The journal of physical chemistry letters.
Calibration and generalizability of probabilistic models on low-data chemical datasets with DIONYSUS
Riley J. Hickman,
A. Aspuru‐Guzik,
Benjamín Sánchez-Lengeling,
2022,
Digital Discovery.
Tobias Kramer,
Alán Aspuru-Guzik,
Christoph Kreisbeck,
2013,
The journal of physical chemistry. B.
M. Mohseni,
P. Rebentrost,
A. Aspuru‐Guzik,
2008,
0806.4725.
Gregory D. Scholes,
Samuel M. Blau,
Alán Aspuru-Guzik,
2017,
Proceedings of the National Academy of Sciences.
Pascal Friederich,
A. Aspuru‐Guzik,
T. Bender,
2022,
J. Chem. Inf. Model..
Florian Häse,
Alán Aspuru-Guzik,
Loïc M. Roch,
2018
.
Riley J. Hickman,
A. Aspuru‐Guzik,
F. Häse,
2022,
Digital Discovery.
David G Lidzey,
V. Vedral,
A. Aspuru‐Guzik,
2017,
1702.01705.
A. Aspuru‐Guzik,
N. Wiebe,
Mohsen Bagherimehrab,
2023,
2306.11802.
A. Aspuru‐Guzik,
Roel S. Sánchez-Carrera,
J. Navarrete,
2010
.
Florian Hase,
A. Aspuru‐Guzik,
A. Kerman,
2019,
1912.03322.
Masoud Mohseni,
Joel Yuen-Zhou,
Alán Aspuru-Guzik,
2010,
Proceedings of the National Academy of Sciences.
M. Mohseni,
A. Aspuru‐Guzik,
J. Yuen-Zhou,
2011
.
A. Aspuru‐Guzik,
C. Kreisbeck,
S. Saikin,
2017
.
John A. Parkhill,
R. Babbush,
A. Aspuru‐Guzik,
2013,
Frontiers in Chemistry.
Ryan Babbush,
John A. Parkhill,
Alán Aspuru-Guzik,
2013,
Front. Chem..
Joel Yuen-Zhou,
Alán Aspuru-Guzik,
A. Aspuru‐Guzik,
2009,
Physical review letters.
Riley J. Hickman,
A. Aspuru‐Guzik,
F. Häse,
2022,
Digital Discovery.
P. Rebentrost,
A. Aspuru‐Guzik,
Stéphanie Valleau,
2011
.
Xavier Andrade,
John Parkhill,
Samuel M. Blau,
2013,
1307.4407.
Cyrille Lavigne,
Alán Aspuru-Guzik,
A. Aspuru‐Guzik,
2021,
J. Open Source Softw..
Semion K. Saikin,
Enrique Solano,
Martin B. Plenio,
2011,
1110.1386.
A. Aspuru‐Guzik,
D. G. Tempel,
J. Yuen-Zhou,
2012
.
A. Aspuru‐Guzik,
D. G. Tempel,
2014,
1406.5631.
Yurii S. Moroz,
Gerhard Wagner,
AkshatKumar Nigam,
2023,
bioRxiv.
John A. Parkhill,
D. Polla,
A. Aspuru‐Guzik,
2012
.
R. Babbush,
A. Perdomo-Ortiz,
A. Aspuru‐Guzik,
2015,
The European Physical Journal Special Topics.
L. B. Kristensen,
A. Aspuru‐Guzik,
P. Wittek,
2021,
npj Quantum Information.
Michele Ceotto,
Sule Atahan,
Alán Aspuru-Guzik,
2007,
Physical chemistry chemical physics : PCCP.
A. Aspuru‐Guzik,
T. Frauenheim,
César A. Rodŕıguez-Rosario,
2019,
Open Syst. Inf. Dyn..
Alan Aspuru-Guzik,
Jeffrey C Grossman,
W. Lester,
2004,
The Journal of chemical physics.
Andrew G. White,
B. Lanyon,
J. Whitfield,
2009
.
Michael J. McConnell,
A. Harrow,
A. Anticevic,
2021,
Nature Methods.
Pavel A. Dub,
Jakob S. Kottmann,
A. Aspuru‐Guzik,
2023,
Journal of chemical theory and computation.
Connor W. Coley,
Chaitanya K. Joshi,
Aria Mansouri Tehrani,
2023,
arXiv.org.
A. Aspuru‐Guzik,
C. Lavigne,
R. Pollice,
2022,
Chemical science.
Chenglong Zhao,
Yaxiang Lu,
Yong‐Sheng Hu,
2020,
Journal of the American Chemical Society.
A. Aspuru‐Guzik,
N. Wiebe,
Mohsen Bagherimehrab,
2023,
ArXiv.
Alán Aspuru-Guzik,
Loïc M Roch,
Florian Häse,
2018,
Chemical science.
A. Aspuru‐Guzik,
Roel S. Sánchez-Carrera,
J. Navarrete,
2010
.
H. Imai,
A. Aspuru‐Guzik,
G. Kimura,
2010,
Physical review letters.
H. Imai,
A. Aspuru‐Guzik,
G. Kimura,
2011
.
Xavier Andrade,
Alán Aspuru-Guzik,
X. Andrade,
2011,
Physical review letters.
Jakob S. Kottmann,
A. Aspuru‐Guzik,
2021,
Physical Review A.
Jakob S. Kottmann,
A. Aspuru‐Guzik,
A. Anand,
2021
.
A. Aspuru‐Guzik,
Stéphanie Valleau,
A. Eisfeld,
2012,
The Journal of chemical physics.
Alán Aspuru-Guzik,
Edward O. Pyzer-Knapp,
Florian Häse,
2015,
Chemical science.
I. Kassal,
A. Aspuru‐Guzik,
2012,
1201.5202.
M. Mohseni,
A. Aspuru‐Guzik,
J. Krich,
2010,
Proceedings of the National Academy of Sciences.
G. Guerreschi,
A. Aspuru‐Guzik,
S. Mandrà,
2014
.
Connor W. Coley,
Chaitanya K. Joshi,
Aria Mansouri Tehrani,
2023,
ArXiv.
Jakob S. Kottmann,
Mario Krenn,
A. Aspuru‐Guzik,
2021
.
A. Aspuru‐Guzik,
2021,
Computational Modeling: From Chemistry to Materials to Biology.
John A. Parkhill,
A. Aspuru‐Guzik,
D. G. Tempel,
2012,
The Journal of chemical physics.