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Journal of Chemical Theory and Computation
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November 3, 2020
Transferable MP2-Based Machine Learning for Accurate Coupled-Cluster Energies
Jacob Townsend, Konstantinos D Vogiatzis
The Journal of Physical Chemistry Letters
|
July 11, 2019
Data-Driven Acceleration of the Coupled-Cluster Singles and Doubles Iterative Solver
Jacob Townsend, Konstantinos D Vogiatzis
The Journal of Physical Chemistry. A
|
March 28, 2019
Understanding the Nature of Weak Interactions between Functionalized Boranes and N<sub>2</sub>/O<sub>2</sub>, Promising Functional Groups for Gas Separations
Jacob Townsend, Nicole M Braunscheidel, Konstantinos D Vogiatzis
The Journal of Physical Chemistry. A
|
November 1, 2019
CO<sub>2</sub> Capture on Functionalized Calixarenes: A Computational Study
John H Hymel, Jacob Townsend, Konstantinos D Vogiatzis
Nature Communications
|
June 28, 2020
Representation of molecular structures with persistent homology for machine learning applications in chemistry
Jacob Townsend, Cassie Putman Micucci, John H Hymel, et al.
Nature Communications
|
July 16, 2020
Author Correction: Representation of molecular structures with persistent homology for machine learning applications in chemistry
Jacob Townsend, Cassie Putman Micucci, John H Hymel, et al.
Chemical Reviews
|
October 31, 2018
Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities
Konstantinos D Vogiatzis, Mikhail V Polynski, Justin K Kirkland, et al.
Angewandte Chemie (International Ed. in English)
|
April 12, 2019
Unprecedented Five-Coordinate Iron(IV) Imides Generate Divergent Spin States Based on the Imide R-Groups
Markus R Anneser, Gaya R Elpitiya, Jacob Townsend, et al.
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Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
November 3, 2020
Transferable MP2-Based Machine Learning for Accurate Coupled-Cluster Energies
Jacob Townsend, Konstantinos D Vogiatzis
The Journal of Physical Chemistry Letters
|
July 11, 2019
Data-Driven Acceleration of the Coupled-Cluster Singles and Doubles Iterative Solver
Jacob Townsend, Konstantinos D Vogiatzis
The Journal of Physical Chemistry. A
|
March 28, 2019
Understanding the Nature of Weak Interactions between Functionalized Boranes and N<sub>2</sub>/O<sub>2</sub>, Promising Functional Groups for Gas Separations
Jacob Townsend, Nicole M Braunscheidel, Konstantinos D Vogiatzis
The Journal of Physical Chemistry. A
|
November 1, 2019
CO<sub>2</sub> Capture on Functionalized Calixarenes: A Computational Study
John H Hymel, Jacob Townsend, Konstantinos D Vogiatzis
Nature Communications
|
June 28, 2020
Representation of molecular structures with persistent homology for machine learning applications in chemistry
Jacob Townsend, Cassie Putman Micucci, John H Hymel, et al.
Nature Communications
|
July 16, 2020
Author Correction: Representation of molecular structures with persistent homology for machine learning applications in chemistry
Jacob Townsend, Cassie Putman Micucci, John H Hymel, et al.
Chemical Reviews
|
October 31, 2018
Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities
Konstantinos D Vogiatzis, Mikhail V Polynski, Justin K Kirkland, et al.
Angewandte Chemie (International Ed. in English)
|
April 12, 2019
Unprecedented Five-Coordinate Iron(IV) Imides Generate Divergent Spin States Based on the Imide R-Groups
Markus R Anneser, Gaya R Elpitiya, Jacob Townsend, et al.
Page
of 1