Stéphanie Valleau

6PUBLICATIONS
3CO-AUTHORS
Computational chemistryTheoretical quantum chemistryChemical thermodynamics and energeticsPhotonics, optoelectronics and optical communications
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Publications (6)

|Jul 22, 2022
Low-cost prediction of molecular and transition state partition functions via machine learning.

Evan Komp, Stéphanie Valleau

|Dec 22, 2021
Progress towards machine learning reaction rate constants.

Evan Komp, Nida Janulaitis, Stéphanie Valleau

|Sep 16, 2020
Machine Learning Quantum Reaction Rate Constants.

Evan Komp, Stéphanie Valleau

|Jul 27, 2019
Reaction Dynamics of Cyanohydrins with Hydrosulfide in Water.

Stéphanie Valleau, Todd J Martínez

|Aug 30, 2018
Machine learning exciton dynamics.

Florian Häse, Stéphanie Valleau, Edward Pyzer-Knapp

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Frequent Collaborators

2 joint publications

Evan Komp

1 joint publications

Alán Aspuru-Guzik

1 joint publications

Todd J Martínez