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L

Loı̈c M. Roch

atinary technologies inc.

22H-index
80Paper Count
3.2KCitation Count
Published Papers 28
Publication Date
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Bayesian Optimization for Resource-Efficient Hydroformylation
errACS CATALYSIS
IF13.1
err2025-11-01
err0
PREAI
errSaudan, Lionel; Tan, Anna Xiao; Pacheco Gutierrez, Daniel; Maggi, Laurent; Roch, Loic; Fantini, Clelia; Walther, Eric; Coulomb, Julien; Santoro, Francesco
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Best practices for multi-fidelity Bayesian optimization in materials and molecular research
errNature Computational Science
IF18.3
err2025-07-23
err0
errOAAI
errVíctor Sabanza-Gil; Riccardo Barbano; Daniel Pacheco Gutiérrez; Jeremy S. Luterbacher; José Miguel Hernández-Lobato; Philippe Schwaller; Loïc Roch
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Accelerated exploration of heterogeneous CO2 hydrogenation catalysts by Bayesian-optimized high-throughput and automated experimentation
errCHEM CATALYSIS
IF11.6
err2024-02-01
err12
PREAI
errRamirez, Adrian; Lam, Erwin; Gutierrez, Daniel Pacheco; Hou, Yuhui; Tribukait, Hermann; Roch, Loic M.; Coperet, Christophe; Laveille, Paco
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Equipping data-driven experiment planning for Self-driving Laboratories with semantic memory: case studies of transfer learning in chemical reaction optimization
errREACTION CHEMISTRY & ENGINEERING
IF3.1
err2023-01-01
err7
PREAI
errHickman, Riley J.; Ruza, Jurgis; Tribukait, Hermann; Roch, Loic M.; Garcia-Duran, Alberto
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errSave
Data-science driven autonomous process optimization
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2021-08-02
err127
errOAAI
errChristensen, Melodie; Yunker, Lars P. E.; Adedeji, Folarin; Hase, Florian; Roch, Loic M.; Gensch, Tobias; dos Passos Gomes, Gabriel; Zepel, Tara; Sigman, Matthew S.; Aspuru-Guzik, Alan; Hein, Jason E.
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errSave
Gryffin: An algorithm for Bayesian optimization of categorical variables informed by expert knowledge
errAPPLIED PHYSICS REVIEWS
IF11.6
err2021-07-15
err89
errOAAI
errHaese, Florian; Aldeghi, Matteo; Hickman, Riley J.; Roch, Loic M.; Aspuru-Guzik, Alan
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errSave
Olympus: a benchmarking framework for noisy optimization and experiment planning
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2021-07-12
err54
errOAAI
errHase, Florian; Aldeghi, Matteo; Hickman, Riley J.; Roch, Loic M.; Christensen, Melodie; Liles, Elena; Hein, Jason E.; Aspuru-Guzik, Alan
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errSave
Unexpected three-state hydrochromism of a donor-acceptor self-complex with fluctuations in relative humidity
errCHEMICAL COMMUNICATIONS
IF4.2
err2021-01-01
err5
PREAI
errSun, Zhimin; Wang, Zhenzhen; Ni, Yanhai; Xi, Lihui; Roch, Loic M.; Nour, Hany F.; Olson, Mark A.
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errSave
The influence of sorbitol doping on aggregation and electronic properties of PEDOT:PSS: a theoretical study
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2020-12-01
err11
errOAAI
errFriederich, Pascal; Leon, Salvador; Perea, Jose Dario; Roch, Loic M.; Aspuru-Guzik, Alan
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errSave
Designing and understanding light-harvesting devices with machine learning
errNATURE COMMUNICATIONS
IF15.7
err2020-09-11
err66
errOAAI
errHase, Florian; Roch, Loic M.; Friederich, Pascal; Aspuru-Guzik, Alan
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errSave
Self-driving laboratory for accelerated discovery of thin-film materials
errSCIENCE ADVANCES
IF12.5
err2020-05-15
err373
errOAAI
errMacLeod, B. P.; Parlane, F. G. L.; Morrissey, T. D.; Hase, F.; Roch, L. M.; Dettelbach, K. E.; Moreira, R.; Yunker, L. P. E.; Rooney, M. B.; Deeth, J. R.; Lai, V; Ng, G. J.; Situ, H.; Zhang, R. H.; Elliott, M. S.; Haley, T. H.; Dvorak, D. J.; Aspuru-Guzik, A.; Hein, J. E.; Berlinguette, C. P.
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errSave
From Absorption Spectra to Charge Transfer in Nanoaggregates of Oligomers with Machine Learning
errACS NANO
IF16
err2020-04-27
err12
PREAI
errRoch, Loic M.; Saikin, Semion K.; Hase, Florian; Friederich, Pascal; Goldsmith, Randall H.; Leon, Salvador; Aspuru-Guzik, Alan
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errSave
Beyond Ternary OPV: High-Throughput Experimentation and Self-Driving Laboratories Optimize Multicomponent Systems
errADVANCED MATERIALS
IF26.8
err2020-02-12
err176
errOAAI
errLangner, Stefan; Hase, Florian; Perea, Jose Dario; Stubhan, Tobias; Hauch, Jens; Roch, Loic M.; Heumueller, Thomas; Aspuru-Guzik, Alan; Brabec, Christoph J.
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Interface Molecular Engineering for Laminated Monolithic Perovskite/Silicon Tandem Solar Cells with 80.4% Fill Factor
errADVANCED FUNCTIONAL MATERIALS
IF19
err2019-08-07
err47
errOAAI
errQuiroz, Cesar Omar Ramirez; Spyropoulos, George D.; Salvador, Michael; Roch, Loic M.; Berlinghof, Marvin; Perea, Jose Dario; Forberich, Karen; Dion-Bertrand, Laura-Isabelle; Schrenker, Nadine J.; Classen, Andrej; Gasparini, Nicola; Chistiakova, Ganna; Mews, Mathias; Korte, Lars; Rech, Bernd; Li, Ning; Hauke, Frank; Spiecker, Erdmann; Ameri, Tayebeh; Albrecht, Steve; Abellan, Gonzalo; Leon, Salvador; Unruh, Tobias; Hirsch, Andreas; Aspuru-Guzik, Althn; Brabec, Christoph J.
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errSave
Next-Generation Experimentation with Self-Driving Laboratories
errTRENDS IN CHEMISTRY
IF13.6
err2019-06-01
err202
PREAI
errHase, Florian; Roch, Loic M.; Aspuru-Guzik, Alan
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errSave
Azaindenocorannulenes: Synthesis, Properties, and Chirality
errORGANIC LETTERS
IF5
err2019-04-17
err14
errOAAI
errTian, Xiaoqi; Roch, Loic M.; Vanthuyne, Nicolas; Xu, Jun; Baldridge, Kim K.; Siegel, Jay S.
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errSave
Phoenics: A Bayesian Optimizer for Chemistry
errACS CENTRAL SCIENCE
IF10.4
err2018-08-24
err243
errOAAI
errHase, Florian; Roch, Loic M.; Kreisbeck, Christoph; Aspuru-Guzik, Alan
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errSave
ChemOS: Orchestrating autonomous experimentation
errSCIENCE ROBOTICS
IF27.5
err2018-06-20
err118
PREAI
errRoch, Loic M.; Hase, Florian; Kreisbeck, Christoph; Tamayo-Mendoza, Teresa; Yunker, Lars P. E.; Hein, Jason E.; Aspuru-Guzik, Alan
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errSave
Accelerating the discovery of materials for clean energy in the era of smart automation
errNATURE REVIEWS MATERIALS
IF86.2
err2018-04-26
err569
PREAI
errTabor, Daniel P.; Roch, Loic M.; Saikin, Semion K.; Kreisbeck, Christoph; Sheberla, Dennis; Montoya, Joseph H.; Dwaraknath, Shyam; Aykol, Muratahan; Ortiz, Carlos; Tribukait, Hermann; Amador-Bedolla, Carlos; Brabec, Christoph J.; Maruyama, Benji; Persson, Kristin A.; Aspuru-Guzik, Alan
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errSave
1,2,3-versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2018-03-26
err15
errOAAI
errLiu, Shi; Roch, Loiec M.; Allemann, Oliver; Xu, Jun; Vanthuyne, Nicolas; Baldridge, Kim K.; Siegel, Jay S.
errShare
errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
M
Michaël Grätzel
H-index: 281 · Papers: 2.8K
S
Shaik M. Zakeeruddin
H-index: 159 · Papers: 647
C
Christoph J. Brabec
H-index: 149 · Papers: 1.2K
A
Alán Aspuru‐Guzik
H-index: 114 · Papers: 933
K
Kristin A. Persson
H-index: 111 · Papers: 723
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