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Journal of Computational Chemistry
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January 13, 2023
Libkrylov: A modular open-source software library for extremely large on-the-fly matrix computations
Dmitrij Rappoport, Samuel Bekoe, Luke Nambi Mohanam, et al.
The Journal of Physical Chemistry. B
|
November 8, 2025
Investigating Electron Conductivity Regimes in the Bacterial Cytochrome Wire OmcS
Luke Nambi Mohanam, Rafael Umeda, Lei Gu, et al.
Journal of Computational Chemistry
|
January 28, 2025
Mechanism of the Non-Kasha Fluorescence in Pyrene
Sourav Majumdar, Robin Grotjahn, Ahmadreza Rajabi, et al.
The Journal of Physical Chemistry. B
|
June 7, 2022
Electronic Structure of de Novo Peptide ACC-Hex from First Principles
D Kirk Lewis, Younghoon Oh, Luke Nambi Mohanam, et al.
Journal of Chemical Information and Modeling
|
February 14, 2025
Dynamic Electronic Structure Fluctuations in the De Novo Peptide ACC-Dimer Revealed by First-Principles Theory and Machine Learning
Peter Mastracco, Luke Nambi Mohanam, Giacomo Nagaro, et al.
Journal of Chemical Theory and Computation
|
July 28, 2023
NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations
Victor M Freixas, Walter Malone, Xinyang Li, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Computational Chemistry
|
January 13, 2023
Libkrylov: A modular open-source software library for extremely large on-the-fly matrix computations
Dmitrij Rappoport, Samuel Bekoe, Luke Nambi Mohanam, et al.
The Journal of Physical Chemistry. B
|
November 8, 2025
Investigating Electron Conductivity Regimes in the Bacterial Cytochrome Wire OmcS
Luke Nambi Mohanam, Rafael Umeda, Lei Gu, et al.
Journal of Computational Chemistry
|
January 28, 2025
Mechanism of the Non-Kasha Fluorescence in Pyrene
Sourav Majumdar, Robin Grotjahn, Ahmadreza Rajabi, et al.
The Journal of Physical Chemistry. B
|
June 7, 2022
Electronic Structure of de Novo Peptide ACC-Hex from First Principles
D Kirk Lewis, Younghoon Oh, Luke Nambi Mohanam, et al.
Journal of Chemical Information and Modeling
|
February 14, 2025
Dynamic Electronic Structure Fluctuations in the De Novo Peptide ACC-Dimer Revealed by First-Principles Theory and Machine Learning
Peter Mastracco, Luke Nambi Mohanam, Giacomo Nagaro, et al.
Journal of Chemical Theory and Computation
|
July 28, 2023
NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations
Victor M Freixas, Walter Malone, Xinyang Li, et al.
Page
of 1