نتائج البحث - "Mohanam, Luke Nambi"

1

دورية أكاديمية

Libkrylov: A modular open‐source software library for extremely large on‐the‐fly matrix computations

المؤلفون: Rappoport, Dmitrij, Bekoe, Samuel, Mohanam, Luke Nambi, Le, Scott, George, Naje’, Shen, Ziyue, Furche, Filipp

المصدر: Journal of Computational Chemistry. 44(11)

مصطلحات موضوعية: iterative algorithms, Krylov space methods, open-source software, TDDFT, TDHF, Physical Chemistry (incl. Structural), Theoretical and Computational Chemistry, Nanotechnology, Chemical Physics

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/6z7063c6Test

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2

Applying Time-dependent Density Functional Theory’s Linear Response to π molecular systems for electronic excitation properties

المؤلفون: Mohanam, Luke Nambi

مصطلحات موضوعية: Computational chemistry, Science education, electronic excitations, Krylov subspace method, non-adiabatic molecular dynamics, TDDFT response theory

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/6gq8x4hnTest

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3

دورية أكاديمية

NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations.

المصدر: Journal of Chemical Theory & Computation; 8/22/2023, Vol. 19 Issue 16, p5356-5368, 13p

4

دورية أكاديمية

Electronic Structure of de Novo Peptide ACC-Hex from First Principles

المؤلفون: Lewis, D. Kirk, Oh, Younghoon, Mohanam, Luke Nambi, Wierzbicki, Michał, Ing, Nicole L., Gu, Lei, Hochbaum, Allon, Wu, Ruqian, Cui, Qiang, Sharifzadeh, Sahar

المساهمون: Air Force Office of Scientific Research, National Institute of General Medical Sciences, Division of Materials Research

المصدر: The Journal of Physical Chemistry B ; volume 126, issue 23, page 4289-4298 ; ISSN 1520-6106 1520-5207

الإتاحة: https://doi.org/10.1021/acs.jpcb.2c02346Test

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5

مورد إلكتروني

libkrylov, a Modular Open-Source Software Library for Extremely Large Eigenvalue and Linear Problems

المؤلفون: Rappoport, Dmitrij, Bekoe, Samuel, Mohanam, Luke Nambi, Furche, Filipp

مصطلحات موضوعية: Numerical linear algebra, Dense matrices, High-performance computing, Iterative algorithms, Computational science, Quantum chemistry

العلاقة: https://gitlab.com/libkrylov/libkrylov-stableTest; https://zenodo.org/communities/nlaTest; https://zenodo.org/record/5935799Test; https://doi.org/10.5281/zenodo.5935799Test; oai:zenodo.org:5935799

الإتاحة: https://doi.org/10.5281/zenodo.5935799Test
https://doi.org/10.5281/zenodo.3974053Test
https://zenodo.org/record/5935799Test

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6

libkrylov, a Modular Open-Source Software Library for Extremely Large On-the-Fly Matrix Computations

المؤلفون: Rappoport, Dmitrij, Bekoe, Samuel, Mohanam, Luke Nambi, Le, Scott, George, Naje', Furche, Filipp

المساهمون: National Science Foundation

الإتاحة: https://doi.org/10.26434/chemrxiv-2022-hprn7Test
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/634347d008470074b59b94e5/original/libkrylov-a-modular-open-source-software-library-for-extremely-large-on-the-fly-matrix-computations.pdfTest

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7

دورية أكاديمية

Intermolecular Forces Game: Using a Card Game to Engage Students in Reviewing Intermolecular Forces and Their Relationship to Boiling Points

المؤلفون: Mohanam, Luke Nambi, Holton, Amanda J.

المساهمون: National Science Foundation

المصدر: Journal of Chemical Education ; volume 97, issue 11, page 4044-4048 ; ISSN 0021-9584 1938-1328

الإتاحة: https://doi.org/10.1021/acs.jchemed.0c00050Test

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8

CSSI Element: libkrylov: A Modular Open-Source Software Library for extremely large and dense eigenvalue and linear problems

المؤلفون: Mohanam, Luke Nambi, Filipp Furche, Bekoe, Samuel, Ziyue Shen, Naje' George

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::027f747f2582ba4ba06949e1d573745aTest

9

مورد إلكتروني

libkrylov, a Modular Open-Source Software Library for Extremely Large Eigenvalue and Linear Problems

المؤلفون: Mohanam, Luke Nambi, Bekoe, Samuel, Shen, Ziyue, George, Najé, Furche, Filipp

مصطلحات موضوعية: Numerical linear algebra, Dense matrices, High-performance computing, Iterative algorithms, Computational science, Quantum chemistry

العلاقة: https://gitlab.com/libkrylov/libkrylov-stableTest; https://zenodo.org/communities/nlaTest; https://zenodo.org/record/3974054Test; https://doi.org/10.5281/zenodo.3974054Test; oai:zenodo.org:3974054

الإتاحة: https://doi.org/10.5281/zenodo.3974054Test
https://doi.org/10.5281/zenodo.3974053Test
https://zenodo.org/record/3974054Test

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10

دورية

NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations

المصدر: Journal of Chemical Theory and Computation; 20240101, Issue: Preprints

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