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Research | 11 January 2021
Inverse design of nanoporous crystalline reticular materials with deep generative models
Nature Machine Intelligence , 1–11

Rights & permissionsfor article Inverse design of nanoporous crystalline reticular materials with deep generative models . Opens in a new window.
Comments and Opinion | 4 January 2021
Quantum computing at the frontiers of biological sciences
- Prashant S. Emani
- , Jonathan Warrell
- , Alan Anticevic
- , Stefan Bekiranov
- , Michael Gandal
- , Michael J. McConnell
- , Guillermo Sapiro
- , Alán Aspuru-Guzik
- , Justin T. Baker
- , Matteo Bastiani
- , John D. Murray
- , Stamatios N. Sotiropoulos
- , Jacob Taylor
- , Geetha Senthil
- , Thomas Lehner
- , Mark B. Gerstein
- & Aram W. Harrow
Nature Methods , 1–9

Rights & permissionsfor article Quantum computing at the frontiers of biological sciences . Opens in a new window.
Amendments and Corrections | 12 May 2017 | Open
Erratum: A two-qubit photonic quantum processor and its application to solving systems of linear equations
Scientific Reports 7 , 1–1

Rights & permissionsfor article Erratum: A two-qubit photonic quantum processor and its application to solving systems of linear equations . Opens in a new window.
Amendments and Corrections | 21 October 2015
Correction: Corrigendum: Strong coupling between chlorosomes of photosynthetic bacteria and a confined optical cavity mode
- David M. Coles
- , Yanshen Yang
- , Yaya Wang
- , Richard T. Grant
- , Robert A. Taylor
- , Semion K. Saikin
- , Alán Aspuru-Guzik
- , David G. Lidzey
- , Joseph Kuo-Hsiang Tang
- & Jason M. Smith
Nature Communications 6 , 1–1

Rights & permissionsfor article Correction: Corrigendum: Strong coupling between chlorosomes of photosynthetic bacteria and a confined optical cavity mode . Opens in a new window.
Amendments and Corrections | 28 February 2014
Correction: Corrigendum: Demon-like algorithmic quantum cooling and its realization with quantum optics
- Jin-Shi Xu
- , Man-Hong Yung
- , Xiao-Ye Xu
- , Sergio Boixo
- , Zheng-Wei Zhou
- , Chuan-Feng Li
- , Alán Aspuru-Guzik
- & Guang-Can Guo
Nature Photonics 8 , 263–263

Rights & permissionsfor article Correction: Corrigendum: Demon-like algorithmic quantum cooling and its realization with quantum optics . Opens in a new window.
Amendments and Corrections | 29 November 2012
Erratum: Solving Quantum Ground-State Problems with Nuclear Magnetic Resonance
- Zhaokai Li
- , Man-Hong Yung
- , Hongwei Chen
- , Dawei Lu
- , James D. Whitfield
- , Xinhua Peng
- , Alán Aspuru-Guzik
- & Jiangfeng Du
Scientific Reports 2 , 1–1

Rights & permissionsfor article Erratum: Solving Quantum Ground-State Problems with Nuclear Magnetic Resonance . Opens in a new window.
Correspondence | 30 January 2020
Reply to ‘Assessing the impact of generative AI on medicinal chemistry’
- Alex Zhavoronkov
- & Alán Aspuru-Guzik
Nature Biotechnology 38 , 146–146

Rights & permissionsfor article Reply to ‘Assessing the impact of generative AI on medicinal chemistry’ . Opens in a new window.
Reviews | 11 September 2020 | Open
Designing and understanding light-harvesting devices with machine learning
Nature Communications 11 , 1–11

Rights & permissionsfor article Designing and understanding light-harvesting devices with machine learning . Opens in a new window.
Comments and Opinion | 6 December 2017
Use machine learning to find energy materials
Nature 552 , 23–27

Rights & permissionsfor article Use machine learning to find energy materials . Opens in a new window.
Comments and Opinion | 5 October 2016
Renewables need a grand-challenge strategy
Nature 538 , 30–30

Rights & permissionsfor article Renewables need a grand-challenge strategy . Opens in a new window.
Research | 21 August 2020 | Open
Interface chemistry of an amide electrolyte for highly reversible lithium metal batteries
- Qidi Wang
- , Zhenpeng Yao
- , Chenglong Zhao
- , Tomas Verhallen
- , Daniel P. Tabor
- , Ming Liu
- , Frans Ooms
- , Feiyu Kang
- , Alán Aspuru-Guzik
- , Yong-Sheng Hu
- , Marnix Wagemaker
- & Baohua Li
Nature Communications 11 , 1–11

Rights & permissionsfor article Interface chemistry of an amide electrolyte for highly reversible lithium metal batteries . Opens in a new window.
Amendments and Corrections | 13 July 2015
Correction: Corrigendum: Chromatic acclimation and population dynamics of green sulfur bacteria grown with spectrally tailored light
- Semion K. Saikin
- , Yadana Khin
- , Joonsuk Huh
- , Moataz Hannout
- , Yaya Wang
- , Farrokh Zare
- , Alán Aspuru-Guzik
- & Joseph Kuo-Hsiang Tang
Scientific Reports 5 , 1–1

Rights & permissionsfor article Correction: Corrigendum: Chromatic acclimation and population dynamics of green sulfur bacteria grown with spectrally tailored light . Opens in a new window.
Reviews | 7 August 2020
Bioinspiration in light harvesting and catalysis
Nature Reviews Materials 5 , 828–846

Rights & permissionsfor article Bioinspiration in light harvesting and catalysis . Opens in a new window.
Research | 2 June 2020 | Open
Resource-efficient digital quantum simulation of d-level systems for photonic, vibrational, and spin-s Hamiltonians
npj Quantum Information 6 , 1–13

Rights & permissionsfor article Resource-efficient digital quantum simulation of <i>d</i>-level systems for photonic, vibrational, and spin-<i>s</i> Hamiltonians . Opens in a new window.
Research | 18 July 2016
A redox-flow battery with an alloxazine-based organic electrolyte
- Kaixiang Lin
- , Rafael Gómez-Bombarelli
- , Eugene S. Beh
- , Liuchuan Tong
- , Qing Chen
- , Alvaro Valle
- , Alán Aspuru-Guzik
- , Michael J. Aziz
- & Roy G. Gordon
Nature Energy 1 , 1–8

Rights & permissionsfor article A redox-flow battery with an alloxazine-based organic electrolyte . Opens in a new window.
Research | 27 September 2016 | Open
The Harvard organic photovoltaic dataset
Scientific Data 3 , 1–7

Rights & permissionsfor article The Harvard organic photovoltaic dataset . Opens in a new window.
Research | 12 November 2014 | Open
Quantum Chemical Approach to Estimating the Thermodynamics of Metabolic Reactions
Scientific Reports 4 , 1–6

Rights & permissionsfor article Quantum Chemical Approach to Estimating the Thermodynamics of Metabolic Reactions . Opens in a new window.
Research | 19 August 2014 | Open
A two-qubit photonic quantum processor and its application to solving systems of linear equations
Scientific Reports 4 , 1–5

Rights & permissionsfor article A two-qubit photonic quantum processor and its application to solving systems of linear equations . Opens in a new window.
Research | 28 November 2014
Strong coupling between chlorosomes of photosynthetic bacteria and a confined optical cavity mode
- David M. Coles
- , Yanshen Yang
- , Yaya Wang
- , Richard T. Grant
- , Robert A. Taylor
- , Semion K. Saikin
- , Alán Aspuru-Guzik
- , David G. Lidzey
- , Joseph Kuo-Hsiang Tang
- & Jason M. Smith
Nature Communications 5 , 1–9

Rights & permissionsfor article Strong coupling between chlorosomes of photosynthetic bacteria and a confined optical cavity mode . Opens in a new window.
Research | 24 August 2015
Boson sampling for molecular vibronic spectra
Nature Photonics 9 , 615–620

Rights & permissionsfor article Boson sampling for molecular vibronic spectra . Opens in a new window.
Research | 27 May 2014 | Open
Chromatic acclimation and population dynamics of green sulfur bacteria grown with spectrally tailored light
- Semion K. Saikin
- , Yadana Khin
- , Joonsuk Huh
- , Moataz Hannout
- , Yaya Wang
- , Farrokh Zare
- , Alán Aspuru-Guzik
- & Joseph Kuo-Hsiang Tang
Scientific Reports 4 , 1–8

Rights & permissionsfor article Chromatic acclimation and population dynamics of green sulfur bacteria grown with spectrally tailored light . Opens in a new window.
Research | 23 July 2014 | Open
A variational eigenvalue solver on a photonic quantum processor
- Alberto Peruzzo
- , Jarrod McClean
- , Peter Shadbolt
- , Man-Hong Yung
- , Xiao-Qi Zhou
- , Peter J. Love
- , Alán Aspuru-Guzik
- & Jeremy L. O’Brien
Nature Communications 5 , 1–7

Rights & permissionsfor article A variational eigenvalue solver on a photonic quantum processor . Opens in a new window.
Research | 26 January 2015 | Open
Uncertainty of Prebiotic Scenarios: The Case of the Non-Enzymatic Reverse Tricarboxylic Acid Cycle
Scientific Reports 5 , 1–7

Rights & permissionsfor article Uncertainty of Prebiotic Scenarios: The Case of the Non-Enzymatic Reverse Tricarboxylic Acid Cycle . Opens in a new window.
Research | 19 January 2014
Demon-like algorithmic quantum cooling and its realization with quantum optics
- Jin-Shi Xu
- , Man-Hong Yung
- , Xiao-Ye Xu
- , Sergio Boixo
- , Zheng-Wei Zhou
- , Chuan-Feng Li
- , Alán Aspuru-Guzik
- & Guang-Can Guo
Nature Photonics 8 , 113–118

Rights & permissionsfor article Demon-like algorithmic quantum cooling and its realization with quantum optics . Opens in a new window.
Research | 13 August 2012 | Open
Finding low-energy conformations of lattice protein models by quantum annealing
Scientific Reports 2 , 1–7

Rights & permissionsfor article Finding low-energy conformations of lattice protein models by quantum annealing . Opens in a new window.
Research | 21 December 2011
Tuning charge transport in solution-sheared organic semiconductors using lattice strain
- Gaurav Giri
- , Eric Verploegen
- , Stefan C. B. Mannsfeld
- , Sule Atahan-Evrenk
- , Do Hwan Kim
- , Sang Yoon Lee
- , Hector A. Becerril
- , Alán Aspuru-Guzik
- , Michael F. Toney
- & Zhenan Bao
Nature 480 , 504–508

Rights & permissionsfor article Tuning charge transport in solution-sheared organic semiconductors using lattice strain . Opens in a new window.
Research | 9 September 2011 | Open
Solving Quantum Ground-State Problems with Nuclear Magnetic Resonance
- Zhaokai Li
- , Man-Hong Yung
- , Hongwei Chen
- , Dawei Lu
- , James D. Whitfield
- , Xinhua Peng
- , Alán Aspuru-Guzik
- & Jiangfeng Du
Scientific Reports 1 , 1–8

Rights & permissionsfor article Solving Quantum Ground-State Problems with Nuclear Magnetic Resonance . Opens in a new window.
Research | 6 June 2012
Observation of topologically protected bound states in photonic quantum walks
- Takuya Kitagawa
- , Matthew A. Broome
- , Alessandro Fedrizzi
- , Mark S. Rudner
- , Erez Berg
- , Ivan Kassal
- , Alán Aspuru-Guzik
- , Eugene Demler
- & Andrew G. White
Nature Communications 3 , 1–7

Rights & permissionsfor article Observation of topologically protected bound states in photonic quantum walks . Opens in a new window.
Research | 2 May 2012 | Open
Quantum Computing Without Wavefunctions: Time-Dependent Density Functional Theory for Universal Quantum Computation
- David G. Tempel
- & Alán Aspuru-Guzik
Scientific Reports 2 , 1–6

Rights & permissionsfor article Quantum Computing Without Wavefunctions: Time-Dependent Density Functional Theory for Universal Quantum Computation . Opens in a new window.
Research | 2 September 2019
Deep learning enables rapid identification of potent DDR1 kinase inhibitors
- Alex Zhavoronkov
- , Yan A. Ivanenkov
- , Alex Aliper
- , Mark S. Veselov
- , Vladimir A. Aladinskiy
- , Anastasiya V. Aladinskaya
- , Victor A. Terentiev
- , Daniil A. Polykovskiy
- , Maksim D. Kuznetsov
- , Arip Asadulaev
- , Yury Volkov
- , Artem Zholus
- , Rim R. Shayakhmetov
- , Alexander Zhebrak
- , Lidiya I. Minaeva
- , Bogdan A. Zagribelnyy
- , Lennart H. Lee
- , Richard Soll
- , David Madge
- , Li Xing
- , Tao Guo
- & Alán Aspuru-Guzik
Nature Biotechnology 37 , 1038–1040

Rights & permissionsfor article Deep learning enables rapid identification of potent DDR1 kinase inhibitors . Opens in a new window.
Special Features | 22 March 2019
Charting a course for chemistry
- Alán Aspuru-Guzik
- , Mu-Hyun Baik
- , Shankar Balasubramanian
- , Rahul Banerjee
- , Suzanne Bart
- , Nadine Borduas-Dedekind
- , Sukbok Chang
- , Peng Chen
- , Clemence Corminboeuf
- , François-Xavier Coudert
- , Leroy Cronin
- , Cathleen Crudden
- , Tanja Cuk
- , Abigail G. Doyle
- , Chunhai Fan
- , Xinliang Feng
- , Danna Freedman
- , Shuhei Furukawa
- , Suhrit Ghosh
- , Frank Glorius
- , Malika Jeffries-EL
- , Nathalie Katsonis
- , Ang Li
- , Sara Snogerup Linse
- , Silvia Marchesan
- , Nuno Maulide
- , Anat Milo
- , Alison R. H. Narayan
- , Panče Naumov
- , Cristina Nevado
- , Tebello Nyokong
- , Rosa Palacin
- , Marc Reid
- , Carol Robinson
- , Gregory Robinson
- , Richmond Sarpong
- , Corinna Schindler
- , Gabriela S. Schlau-Cohen
- , Timothy W. Schmidt
- , Roberta Sessoli
- , Yang Shao-Horn
- , Hanadi Sleiman
- , John Sutherland
- , Annette Taylor
- , Akif Tezcan
- , Mariola Tortosa
- , Aron Walsh
- , Allan J. B. Watson
- , Bert M. Weckhuysen
- , Emily Weiss
- , Daniela Wilson
- , Vivian W.-W. Yam
- , Xueming Yang
- , Jackie Y. Ying
- , Tehshik Yoon
- , Shu-Li You
- , Aldo J. G. Zarbin
- & Hua Zhang
Nature Chemistry 11 , 286–294

Rights & permissionsfor article Charting a course for chemistry . Opens in a new window.
Reviews | 26 April 2018
Accelerating the discovery of materials for clean energy in the era of smart automation
Nature Reviews Materials 3 , 5–20

Rights & permissionsfor article Accelerating the discovery of materials for clean energy in the era of smart automation . Opens in a new window.
Research | 13 November 2017
Programmed coherent coupling in a synthetic DNA-based excitonic circuit
- Étienne Boulais
- , Nicolas P. D. Sawaya
- , Rémi Veneziano
- , Alessio Andreoni
- , James L. Banal
- , Toru Kondo
- , Sarthak Mandal
- , Su Lin
- , Gabriela S. Schlau-Cohen
- , Neal W. Woodbury
- , Hao Yan
- , Alán Aspuru-Guzik
- & Mark Bathe
Nature Materials 17 , 159–166

Rights & permissionsfor article Programmed coherent coupling in a synthetic DNA-based excitonic circuit . Opens in a new window.
Research | 8 August 2016
Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach
- Rafael Gómez-Bombarelli
- , Jorge Aguilera-Iparraguirre
- , Timothy D. Hirzel
- , David Duvenaud
- , Dougal Maclaurin
- , Martin A. Blood-Forsythe
- , Hyun Sik Chae
- , Markus Einzinger
- , Dong-Gwang Ha
- , Tony Wu
- , Georgios Markopoulos
- , Soonok Jeon
- , Hosuk Kang
- , Hiroshi Miyazaki
- , Masaki Numata
- , Sunghan Kim
- , Wenliang Huang
- , Seong Ik Hong
- , Marc Baldo
- , Ryan P. Adams
- & Alán Aspuru-Guzik
Nature Materials 15 , 1120–1127

Rights & permissionsfor article Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach . Opens in a new window.
Reviews | 30 March 2017
Using coherence to enhance function in chemical and biophysical systems
- Gregory D. Scholes
- , Graham R. Fleming
- , Lin X. Chen
- , Alán Aspuru-Guzik
- , Andreas Buchleitner
- , David F. Coker
- , Gregory S. Engel
- , Rienk van Grondelle
- , Akihito Ishizaki
- , David M. Jonas
- , Jeff S. Lundeen
- , James K. McCusker
- , Shaul Mukamel
- , Jennifer P. Ogilvie
- , Alexandra Olaya-Castro
- , Mark A. Ratner
- , Frank C. Spano
- , K. Birgitta Whaley
- & Xiaoyang Zhu
Nature 543 , 647–656

Rights & permissionsfor article Using coherence to enhance function in chemical and biophysical systems . Opens in a new window.
Research | 13 October 2014 | Open
Adiabatic Quantum Simulation of Quantum Chemistry
Scientific Reports 4 , 1–11

Rights & permissionsfor article Adiabatic Quantum Simulation of Quantum Chemistry . Opens in a new window.
Research | 8 January 2014
A metal-free organic–inorganic aqueous flow battery
- Brian Huskinson
- , Michael P. Marshak
- , Changwon Suh
- , Süleyman Er
- , Michael R. Gerhardt
- , Cooper J. Galvin
- , Xudong Chen
- , Alán Aspuru-Guzik
- , Roy G. Gordon
- & Michael J. Aziz
Nature 505 , 195–198

Rights & permissionsfor article A metal-free organic–inorganic aqueous flow battery . Opens in a new window.
Research | 21 September 2014
Topologically protected excitons in porphyrin thin films
Nature Materials 13 , 1026–1032

Rights & permissionsfor article Topologically protected excitons in porphyrin thin films . Opens in a new window.
Research | 16 August 2011 | Open
From computational discovery to experimental characterization of a high hole mobility organic crystal
Nature Communications 2 , 1–8

Rights & permissionsfor article From computational discovery to experimental characterization of a high hole mobility organic crystal . Opens in a new window.
Research | 6 June 2012
Digital quantum simulation of the statistical mechanics of a frustrated magnet
Nature Communications 3 , 1–10

Rights & permissionsfor article Digital quantum simulation of the statistical mechanics of a frustrated magnet . Opens in a new window.
Reviews | 2 April 2012
Photonic quantum simulators
- Alán Aspuru-Guzik
- & Philip Walther
Nature Physics 8 , 285–291

Rights & permissionsfor article Photonic quantum simulators . Opens in a new window.

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