| Year |
Citation |
Score |
| 2022 |
Komp E, Valleau S. Low-cost prediction of molecular and transition state partition functions machine learning. Chemical Science. 13: 7900-7906. PMID 35865893 DOI: 10.1039/d2sc01334g |
0.773 |
|
| 2021 |
Komp E, Janulaitis N, Valleau S. Progress towards machine learning reaction rate constants. Physical Chemistry Chemical Physics : Pccp. PMID 34935798 DOI: 10.1039/d1cp04422b |
0.595 |
|
| 2021 |
Komp E, Valleau S. Addition to "Machine Learning Quantum Reaction Rate Constants". The Journal of Physical Chemistry. A. 125: 9259-9260. PMID 34617767 DOI: 10.1021/acs.jpca.1c08299 |
0.79 |
|
| 2020 |
Komp E, Valleau S. Machine Learning Quantum Reaction Rate Constants. The Journal of Physical Chemistry. A. 124: 8607-8613. PMID 32936640 DOI: 10.1021/Acs.Jpca.0C05992 |
0.786 |
|
| 2019 |
Valleau S, Martínez TJ. Reaction Dynamics of Cyanohydrins With Hydrosulfide in Water. The Journal of Physical Chemistry. A. PMID 31348667 DOI: 10.1021/Acs.Jpca.9B05735 |
0.553 |
|
| 2017 |
Valleau S, Studer RA, Häse F, Kreisbeck C, Saer RG, Blankenship RE, Shakhnovich EI, Aspuru-Guzik A. Absence of Selection for Quantum Coherence in the Fenna-Matthews-Olson Complex: A Combined Evolutionary and Excitonic Study. Acs Central Science. 3: 1086-1095. PMID 29104925 DOI: 10.1021/Acscentsci.7B00269 |
0.456 |
|
| 2016 |
Häse F, Valleau S, Pyzer-Knapp E, Aspuru-Guzik A. Machine learning exciton dynamics. Chemical Science. 7: 5139-5147. PMID 30155164 DOI: 10.1039/C5Sc04786B |
0.76 |
|
| 2015 |
Chandrasekaran S, Aghtar M, Valleau S, Aspuru-Guzik A, Kleinekathöfer U. Influence of Force Fields and Quantum Chemistry Approach on Spectral Densities of BChl a in Solution and in FMO Proteins. The Journal of Physical Chemistry. B. 119: 9995-10004. PMID 26156758 DOI: 10.1021/Acs.Jpcb.5B03654 |
0.507 |
|
| 2014 |
Valleau S, Saikin SK, Ansari-Oghol-Beig D, Rostami M, Mossallaei H, Aspuru-Guzik A. Electromagnetic study of the chlorosome antenna complex of Chlorobium tepidum. Acs Nano. 8: 3884-94. PMID 24641680 DOI: 10.1021/Nn500759K |
0.417 |
|
| 2014 |
Huh J, Saikin SK, Brookes JC, Valleau S, Fujita T, Aspuru-Guzik A. Atomistic study of energy funneling in the light-harvesting complex of green sulfur bacteria. Journal of the American Chemical Society. 136: 2048-57. PMID 24405318 DOI: 10.1021/Ja412035Q |
0.582 |
|
| 2013 |
Saikin SK, Eisfeld A, Valleau S, Aspuru-Guzik A. Photonics meets excitonics: Natural and artificial molecular aggregates Nanophotonics. 2: 21-38. DOI: 10.1515/Nanoph-2012-0025 |
0.435 |
|
| 2013 |
Ansari-Oghol-Beig D, Rostami M, Chernobrovkina E, Saikin SK, Valleau S, Mosallaei H, Aspuru-Guzik A. Parametric hierarchical matrix approach for the wideband optical response of large-scale molecular aggregates Journal of Applied Physics. 114. DOI: 10.1063/1.4826189 |
0.425 |
|
| 2013 |
Mandrà S, Valleau S, Ceotto M. Deep nuclear resonant tunneling thermal rate constant calculations International Journal of Quantum Chemistry. 113: 1722-1734. DOI: 10.1002/Qua.24395 |
0.741 |
|
| 2012 |
Valleau S, Eisfeld A, Aspuru-Guzik A. On the alternatives for bath correlators and spectral densities from mixed quantum-classical simulations. The Journal of Chemical Physics. 137: 224103. PMID 23248983 DOI: 10.1063/1.4769079 |
0.488 |
|
| 2012 |
Shim S, Rebentrost P, Valleau S, Aspuru-Guzik A. Atomistic study of the long-lived quantum coherences in the Fenna-Matthews-Olson complex. Biophysical Journal. 102: 649-60. PMID 22325289 DOI: 10.1016/J.Bpj.2011.12.021 |
0.637 |
|
| 2011 |
Ceotto M, Valleau S, Tantardini GF, Aspuru-Guzik A. First principles semiclassical calculations of vibrational eigenfunctions. The Journal of Chemical Physics. 134: 234103. PMID 21837839 DOI: 10.1063/1.3599469 |
0.677 |
|
| 2011 |
Ceotto M, Valleau S, Gian Franco Tantardini, Aspuru-Guzik A. First principles semiclassical calculations of vibrational eigenfunctions Journal of Chemical Physics. 134. DOI: 10.1063/1.3599469 |
0.653 |
|
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