Progress towards machine learning reaction rate constants
Komp, Evan, Janulaitis, Nida, Valleau, Stéphanie
Published in Physical chemistry chemical physics : PCCP (02.02.2022)
Published in Physical chemistry chemical physics : PCCP (02.02.2022)
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Journal Article
Atomistic Study of the Long-Lived Quantum Coherences in the Fenna-Matthews-Olson Complex
Shim, Sangwoo, Rebentrost, Patrick, Valleau, Stéphanie, Aspuru-Guzik, Alán
Published in Biophysical journal (08.02.2012)
Published in Biophysical journal (08.02.2012)
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Journal Article
Machine learning exciton dynamics
Häse, Florian, Valleau, Stéphanie, Pyzer-Knapp, Edward, Aspuru-Guzik, Alán
Published in Chemical science (Cambridge) (01.01.2016)
Published in Chemical science (Cambridge) (01.01.2016)
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Journal Article
Photonics meets excitonics: natural and artificial molecular aggregates
Saikin, Semion K., Eisfeld, Alexander, Valleau, Stéphanie, Aspuru-Guzik, Alán
Published in Nanophotonics (Berlin, Germany) (01.02.2013)
Published in Nanophotonics (Berlin, Germany) (01.02.2013)
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Journal Article
Exciton transport in thin-film cyanine dye J-aggregates
Valleau, Stéphanie, Saikin, Semion K, Yung, Man-Hong, Aspuru Guzik, Alán
Published in The Journal of chemical physics (21.07.2012)
Published in The Journal of chemical physics (21.07.2012)
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First principles semiclassical calculations of vibrational eigenfunctions
Ceotto, Michele, Valleau, Stéphanie, Tantardini, Gian Franco, Aspuru-Guzik, Alán
Published in The Journal of chemical physics (21.06.2011)
Published in The Journal of chemical physics (21.06.2011)
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Journal Article
Deep nuclear resonant tunneling thermal rate constant calculations
Mandrà, Salvatore, Valleau, Stéphanie, Ceotto, Michele
Published in International journal of quantum chemistry (15.06.2013)
Published in International journal of quantum chemistry (15.06.2013)
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Journal Article
Influence of Force Fields and Quantum Chemistry Approach on Spectral Densities of BChl a in Solution and in FMO Proteins
Chandrasekaran, Suryanarayanan, Aghtar, Mortaza, Valleau, Stéphanie, Aspuru-Guzik, Alán, Kleinekathöfer, Ulrich
Published in The journal of physical chemistry. B (06.08.2015)
Published in The journal of physical chemistry. B (06.08.2015)
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Journal Article
Atomistic Study of Energy Funneling in the Light-Harvesting Complex of Green Sulfur Bacteria
Huh, Joonsuk, Saikin, Semion K, Brookes, Jennifer C, Valleau, Stéphanie, Fujita, Takatoshi, Aspuru-Guzik, Alán
Published in Journal of the American Chemical Society (05.02.2014)
Published in Journal of the American Chemical Society (05.02.2014)
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Journal Article
Electromagnetic Study of the Chlorosome Antenna Complex of Chlorobium tepidum
Valleau, Stéphanie, Saikin, Semion K, Ansari-Oghol-Beig, Davood, Rostami, Masoud, Mossallaei, Hossein, Aspuru-Guzik, Alán
Published in ACS nano (22.04.2014)
Published in ACS nano (22.04.2014)
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Journal Article
Absence of Selection for Quantum Coherence in the Fenna–Matthews–Olson Complex: A Combined Evolutionary and Excitonic Study
Valleau, Stéphanie, Studer, Romain A, Häse, Florian, Kreisbeck, Christoph, Saer, Rafael G, Blankenship, Robert E, Shakhnovich, Eugene I, Aspuru-Guzik, Alán
Published in ACS central science (25.10.2017)
Published in ACS central science (25.10.2017)
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Journal Article
Machine learning exciton dynamicsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5sc04786b
Häse, Florian, Valleau, Stéphanie, Pyzer-Knapp, Edward, Aspuru-Guzik, Alán
Year of Publication 18.07.2016
Year of Publication 18.07.2016
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