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Journal of Chemical Theory and Computation|October 24, 2018
A Density Functional Tight Binding Layer for Deep Learning of Chemical HamiltoniansHaichen Li, Christopher Collins, Matteus Tanha, et al.
Journal of Chemical Theory and Computation|October 7, 2016
A Least-Squares Commutator in the Iterative Subspace Method for Accelerating Self-Consistent Field ConvergenceHaichen Li, David J Yaron
The Journal of Chemical Physics|July 2, 2018
Constant size descriptors for accurate machine learning models of molecular propertiesChristopher R Collins, Geoffrey J Gordon, O Anatole von Lilienfeld, et al.
The Journal of Physical Chemistry. A|September 13, 2014
Computational and experimental characterization of a fluorescent dye for detection of potassium ion concentrationMatteus Tanha, Subhasish K Chakraborty, Beth Gabris, et al.
Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|July 15, 2015
Spectral fine tuning of cyanine dyes: electron donor-acceptor substituted analogues of thiazole orangeElizabeth E Rastede, Matteus Tanha, David Yaron, et al.
The Journal of Chemical Physics|April 25, 2009
Modeling outer-sphere disorder in the symmetry breaking of PPVL Angela Liu, David J Yaron
The Journal of Chemical Physics|June 21, 2013
Brownian dynamics simulations of charge mobility on conjugated polymers in solutionNicolae M Albu, David J Yaron
Advances in Neural Information Processing Systems|January 10, 2017
Supervised Learning for Dynamical System LearningAhmed Hefny, Carlton Downey, Geoffrey J Gordon
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