• PhD in Chemical Physics thesis (2016) – Theoretical study of exciton transport in natural and synthetic light-harvesting systems
  • Master’s degree thesis (2010) – A Quantum Instanton study of the diffusion of hydrogen and its isotopes on Ni(100)
  • Bachelor’s degree thesis (2008) – Dinamica Quantistica della diffusione dell’idrogeno e dei suoi isotopi su Ni(100)

Publications in scientific journals

You can find the most updated list on Google scholar profile.

13. Stéphanie Valleau and Todd Martínez.
“Reaction dynamics of cyanohydrins with hydrosulfide in water”
arXiv:1806.08841 (2018)

12.  Stéphanie Valleau, Romain A. Studer, Florian Häse, Christoph Kreisbeck, Rafael G. Saer, Robert E. Blankenship, Eugene I. Shakhnovich, Alán Aspuru-Guzik.
“Absence of selection for quantum coherence in the Fenna-Matthews-Olson complex: a combined evolutionary and excitonic study”
ACS Central Science: 3:1086 (2017)

11.  Florian Häse, Stéphanie Valleau, Ed Pyzer-Knapp and Alán Aspuru-Guzik.
“Machine Learning Exciton Dynamics”
Chemical Science: 7, 5139 (2016)

10.  Suryanarayanan Chandrasekaran, Mortaza Aghtar, Stéphanie Valleau, Alán Aspuru-Guzik, and Ulrich Kleinekathoefer.
“Influence of Force Fields and Quantum Chemistry Approach on Spectral Densities of BChl a in Solution and in FMO Protein”
The Journal of Physical Chemistry B: 119, 9995 (2015)

9.   Stéphanie Valleau, Semion K. Saikin, Davood Ansari-Oghol-Beig, Masoud Rostami, Hossein Mosallaei, and Alán Aspuru-Guzik.
“Electromagnetic study of the chlorosome antenna complex of Chlorobium-tepidum”
ACS Nano: 8, 3884 (2014)

8.   Davood Ansari-Oghol-Beig, M. Rostami, E. Chernobrovkina, S. K. Saikin, Stéphanie Valleau, H. Mosallaei, and Alán Aspuru-Guzik.
“Parametric Hierarchical Matrix Approach for the Wideband Optical Response of Large-Scale Molecular Aggregates”
Journal of Applied Physics: 114, 164315 (2013)

7.   Joonsuk Huh, Semion K. Saikin, Jennifer C. Brookes, Stéphanie Valleau, Takatoshi Fujita, and Alán Aspuru-Guzik.
“Atomistic study of energy funneling in the light-harvesting complex of green sulfur bacteria”
Journal of the American Chemical Society: 136, 2048 (2014)

6.   Salvatore Mandrà, Stéphanie Valleau and Michele Ceotto
“Deep Nuclear Resonant Tunneling Thermal Rate Constant Calculations”
International Journal of Quantum Chemistry: 113,1722 (2013)

5.   Semion Saikin, Alex Eisfeld, Stéphanie Valleau and Alán Aspuru-Guzik
“Photonics meets excitonics: natural and artificial molecular aggregates”
Nanophotonics: 2, 21 (2013)

4.  Stéphanie Valleau, Alex Eisfeld and Alán Aspuru-Guzik
“On the alternatives for bath correlators and spectral densities from mixed quantum-classical simulations”
Journal of Chemical Physics: 137, 224103 (2012)

3.  Stéphanie Valleau, Semion K. Saikin, Man-Hong Yung and Alán Aspuru Guzik
“Exciton transport in thin-film cyanine dye J-aggregates”
Journal of Chemical Physics: 137, 034109 (2012)

2.  Sangwoo Shim, Patrick Rebentrost, Stéphanie Valleau and Alán Aspuru-Guzik
“Atomistic Study of the long-lived quantum coherences in the Fenna-Matthews-Olson complex”
Biophysical Journal: 102, 649 (2012)

1.  Michele Ceotto, Stéphanie Valleau, Gian Franco Tantardini and Alán Aspuru-Guzik
“First Principles Semiclassical Calculations of Vibrational Eigenfunctions”
Journal of Chemical Physics: 134, 234103 (2011)