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Nature Materials
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September 25, 2019
Beware the nanovoids
David J Yaron, Tomasz Kowalewski
Journal of Chemical Theory and Computation
|
October 7, 2016
A Least-Squares Commutator in the Iterative Subspace Method for Accelerating Self-Consistent Field Convergence
Haichen Li, David J Yaron
The Journal of Chemical Physics
|
April 25, 2009
Modeling outer-sphere disorder in the symmetry breaking of PPV
L Angela Liu, David J Yaron
The Journal of Chemical Physics
|
June 21, 2013
Brownian dynamics simulations of charge mobility on conjugated polymers in solution
Nicolae M Albu, David J Yaron
Journal of Chemical Theory and Computation
|
September 14, 2023
Treating Semiempirical Hamiltonians as Flexible Machine Learning Models Yields Accurate and Interpretable Results
Frank Hu, Francis He, David J Yaron
The Journal of Physical Chemistry. A
|
June 4, 2009
Computational design of a light-driven molecular motor
Nicolae M Albu, Edward Bergin, David J Yaron
The Journal of Physical Chemistry. B
|
March 25, 2015
Modeling Field-Induced Quenching in Poly(p-phenylene vinylene) Polymers and Oligomers
Christian M Legaspi, Linda A Peteanu, David J Yaron
Journal of Chemical Theory and Computation
|
November 26, 2015
Using Molecular Similarity to Develop Reliable Models of Chemical Reactions in Complex Environments
Volkan Ediz, Anthony C Monda, Robert P Brown, et al.
Journal of Chemical Theory and Computation
|
October 24, 2018
A Density Functional Tight Binding Layer for Deep Learning of Chemical Hamiltonians
Haichen Li, Christopher Collins, Matteus Tanha, et al.
The Journal of Chemical Physics
|
July 2, 2018
Constant size descriptors for accurate machine learning models of molecular properties
Christopher R Collins, Geoffrey J Gordon, O Anatole von Lilienfeld, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Nature Materials
|
September 25, 2019
Beware the nanovoids
David J Yaron, Tomasz Kowalewski
Journal of Chemical Theory and Computation
|
October 7, 2016
A Least-Squares Commutator in the Iterative Subspace Method for Accelerating Self-Consistent Field Convergence
Haichen Li, David J Yaron
The Journal of Chemical Physics
|
April 25, 2009
Modeling outer-sphere disorder in the symmetry breaking of PPV
L Angela Liu, David J Yaron
The Journal of Chemical Physics
|
June 21, 2013
Brownian dynamics simulations of charge mobility on conjugated polymers in solution
Nicolae M Albu, David J Yaron
Journal of Chemical Theory and Computation
|
September 14, 2023
Treating Semiempirical Hamiltonians as Flexible Machine Learning Models Yields Accurate and Interpretable Results
Frank Hu, Francis He, David J Yaron
The Journal of Physical Chemistry. A
|
June 4, 2009
Computational design of a light-driven molecular motor
Nicolae M Albu, Edward Bergin, David J Yaron
The Journal of Physical Chemistry. B
|
March 25, 2015
Modeling Field-Induced Quenching in Poly(p-phenylene vinylene) Polymers and Oligomers
Christian M Legaspi, Linda A Peteanu, David J Yaron
Journal of Chemical Theory and Computation
|
November 26, 2015
Using Molecular Similarity to Develop Reliable Models of Chemical Reactions in Complex Environments
Volkan Ediz, Anthony C Monda, Robert P Brown, et al.
Journal of Chemical Theory and Computation
|
October 24, 2018
A Density Functional Tight Binding Layer for Deep Learning of Chemical Hamiltonians
Haichen Li, Christopher Collins, Matteus Tanha, et al.
The Journal of Chemical Physics
|
July 2, 2018
Constant size descriptors for accurate machine learning models of molecular properties
Christopher R Collins, Geoffrey J Gordon, O Anatole von Lilienfeld, et al.
Page
of 2