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ResearcherID: C-7935-2013
ResearcherID: GRR-3937-2022

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Employment (5)

University of California, Riverside: Riverside, California, US

2024-01-01 to present | Assistant Project Scientist (Chemical Environ Engineering D)
Employment
Source: Self-asserted source
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State University of New York at Oswego: Oswego, NY, US

2022-08-01 to 2023-10-01 | Visiting Assistant Professor (Chemistry)
Employment
Source: Self-asserted source
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Central Michigan University: Mount Pleasant, MI, US

2018-02-01 to 2022-06-15 | Postdoctoral associate (Physics Department)
Employment
Source: Self-asserted source
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University of Minnesota: Minneapolis, MN, US

2015-11-02 to 2018-01-31 | postdoctoral associate (Chemistry Department)
Employment
Source: Self-asserted source
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University at Buffalo - The State University of New York: Buffalo, NY, US

2014-01-01 to 2015-10-31 | Postdoc (Chemistry)
Employment
Source: Self-asserted source
kamal sharkas

Education and qualifications (1)

Université Pierre et Marie Curie: Paris, Île-de-France, FR

2009-10-01 to 2013-07-13 | PhD (Laboratoire de Chime Théorique )
Education
Source: Self-asserted source
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Professional activities (1)

Sigma Pi Sigma: Mount Pleasant, Michigan, US

2019-04-18 to 2020-04-18 | Member (Central Michigan University)
Membership
Source: Self-asserted source
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Works (20)

Defluorination Mechanisms and Real-Time Dynamics of Per- and Polyfluoroalkyl Substances on Electrified Surfaces

Environmental Science & Technology Letters
2025-02-11 | Journal article
DOI: 10.1021/acs.estlett.4c01130
Contributors: Kamal Sharkas; Bryan M. Wong
Source: check_circle
Crossref

Fermi–Löwdin orbital self-interaction correction of adsorption energies on transition metal ions

The Journal of Chemical Physics
2022-04-07 | Journal article
DOI: 10.1063/5.0078970
Contributors: Kushantha P. K. Withanage; Kamal Sharkas; J. Karl Johnson; John P. Perdew; Juan E. Peralta; Koblar A. Jackson
Source: check_circle
Crossref

How well do self-interaction corrections repair the overestimation of static polarizabilities in density functional calculations?

Physical Chemistry Chemical Physics
2021 | Journal article
DOI: 10.1039/D0CP06512A
Contributors: Sharmin Akter; Jorge A. Vargas; Kamal Sharkas; Juan E. Peralta; Koblar A. Jackson; Tunna Baruah; Rajendra R. Zope
Source: check_circle
Crossref

Self-interaction error overbinds water clusters but cancels in structural energy differences

Proceedings of the National Academy of Sciences
2020-05-26 | Journal article
DOI: 10.1073/pnas.1921258117
Contributors: Kamal Sharkas; Kamal Wagle; Biswajit Santra; Sharmin Akter; Rajendra R. Zope; Tunna Baruah; Koblar A. Jackson; John P. Perdew; Juan E. Peralta
Source: check_circle
Crossref

The effect of self-interaction error on electrostatic dipoles calculated using density functional theory

The Journal of Chemical Physics
2019 | Journal article
DOI: 10.1063/1.5125205
Source: Self-asserted source
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The effects of active site and support on hydrogen elimination over transition-metal-functionalized yttria-decorated metal–organic frameworks

Catalysis Science & Technology
2019 | Journal article
DOI: 10.1039/C9CY01069F
Contributors: Bo Yang; Kamal Sharkas; Laura Gagliardi; Donald G. Truhlar
Source: check_circle
Crossref

Towards efficient density functional theory calculations without self-interaction: The Fermi-Löwdin orbital self-interaction correction

Journal of Physics: Conference Series
2019-10 | Journal article
DOI: 10.1088/1742-6596/1290/1/012002
Source: Self-asserted source
kamal sharkas

Shrinking Self-Interaction Errors with the Fermi–Löwdin Orbital Self-Interaction-Corrected Density Functional Approximation

The Journal of Physical Chemistry A
2018-12-06 | Journal article
DOI: 10.1021/acs.jpca.8b09940
Contributors: Kamal Sharkas; Lin Li; Kai Trepte; Kushantha P. K. Withanage; Rajendra P. Joshi; Rajendra R. Zope; Tunna Baruah; J. Karl Johnson; Koblar A. Jackson; Juan E. Peralta
Source: check_circle
Crossref

Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplings

The Journal of Chemical Physics
2018-10-28 | Journal article
DOI: 10.1063/1.5050809
Contributors: Rajendra P. Joshi; Kai Trepte; Kushantha P. K. Withanage; Kamal Sharkas; Yoh Yamamoto; Luis Basurto; Rajendra R. Zope; Tunna Baruah; Koblar A. Jackson; Juan E. Peralta
Source: check_circle
Crossref

Analytic Gradients for Complete Active Space Pair-Density Functional Theory.

Journal of chemical theory and computation
2017 | Journal article
DOI: 10.1021/acs.jctc.7b00967
WOSUID:

MEDLINE:29211966
Contributors: Sand, Andrew M; Hoyer, Chad E; Sharkas, Kamal; Kidder, Katherine Marie; Lindh, Roland; Truhlar, Donald G; Gagliardi, Laura
Source: Self-asserted source
kamal sharkas via ResearcherID

Multiconfiguration Pair-Density Functional Theory and Complete Active Space Second Order Perturbation Theory. Bond Dissociation Energies of FeC, NiC, FeS, NiS, FeSe, and NiSe

Journal of Physical Chemistry a
2017 | Journal article
DOI: 10.1021/acs.jpca.7b09779
WOSUID:

WOS:000417672000022
Contributors: Sharkas, Kamal; Gagliardi, Laura; Truhlar, Donald G.
Source: Self-asserted source
kamal sharkas via ResearcherID

Calculating NMR Chemical Shifts for Paramagnetic Metal Complexes from First-Principles

Journal of Physical Chemistry Letters
2015 | Journal article
DOI: 10.1021/acs.jpclett.5b00932
WOSUID:

WOS:000356758100006
Contributors: Gendron, Frederic; Sharkas, Kamal; Autschbach, Jochen
Source: Self-asserted source
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Effects from Spin-Orbit Coupling on Electron-Nucleus Hyperfine Coupling Calculated at the Restricted Active Space Level for Kramers Doublets

Journal of Chemical Theory and Computation
2015 | Journal article
DOI: 10.1021/ct500988h
WOSUID:

WOS:000349934400016
Contributors: Sharkas, Kamal; Pritchard, Ben; Autschbach, Jochen
Source: Self-asserted source
kamal sharkas via ResearcherID

Range-separated double-hybrid density-functional theory applied to periodic systems.

The Journal of chemical physics
2015 | Journal article
DOI: 10.1063/1.4922996
WOSUID:

MEDLINE:26374004
Contributors: Sansone, Giuseppe; Civalleri, Bartolomeo; Usvyat, Denis; Toulouse, Julien; Sharkas, Kamal; Maschio, Lorenzo
Source: Self-asserted source
kamal sharkas via ResearcherID

Double-hybrid density-functional theory applied to molecular crystals

Journal of Chemical Physics
2014 | Journal article
DOI: 10.1063/1.4890439
WOSUID:

WOS:000340712200013
Contributors: Sharkas, Kamal; Toulouse, Julien; Maschio, Lorenzo; Civalleri, Bartolomeo
Source: Self-asserted source
kamal sharkas via ResearcherID

Double-hybrid density-functional theory with meta-generalized-gradient approximations

Journal of Chemical Physics
2014 | Journal article
DOI: 10.1063/1.4865963
WOSUID:

WOS:000332485900009
Contributors: Souvi, Sidi M. O.; Sharkas, Kamal; Toulouse, Julien
Source: Self-asserted source
kamal sharkas via ResearcherID

A multiconfigurational hybrid density-functional theory

The Journal of chemical physics
2012 | Journal article
Part of ISSN: 1089-7690
Contributors: Jensen, Hans Jorgen Aa; Savin, Andreas; Sharkas, Kamal; Toulouse, Julien
Source: Self-asserted source
kamal sharkas via ResearcherID

Communication: Rationale for a new class of double-hybrid approximations in density-functional theory

Journal of Chemical Physics
2011 | Journal article
DOI: 10.1063/1.3640019
Part of ISSN: 0021-9606
Contributors: Adamo, Carlo; Bremond, Eric; Sharkas, Kamal; Toulouse, Julien
Source: Self-asserted source
kamal sharkas via ResearcherID

Double-hybrid density-functional theory made rigorous

Journal of Chemical Physics
2011 | Journal article
DOI: 10.1063/1.3544215
Part of ISSN: 0021-9606
Contributors: Savin, Andreas; Sharkas, Kamal; Toulouse, Julien
Source: Self-asserted source
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Ab initio study of the chemical states of water on Cr2O3(0001): From the isolated molecule to saturation coverage

Surface Science
2009 | Journal article
DOI: 10.1016/j.susc.2009.05.037
Part of ISSN: 0039-6028
Contributors: Costa, Dominique; Islam, Mazharul M.; Marcus, Philippe; Sharkas, Kamal
Source: Self-asserted source
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Peer review (1 review for 1 publication/grant)

Review activity for The journal of physical chemistry. (1)
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