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Scopus Author ID: 57211827057
Scopus Author ID: 57202711007

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Employment (3)

Indian Institute of Technology Indore: Indore, Madhya Pradesh, IN

2023-03-20 to present | Assistant Professor (Chemistryq)
Employment
Source: Self-asserted source
Soumen Ghosh

Pacific Northwest National Laboratory: Richland, WA, US

2021-08-30 to 2023-03-03 | Postdoctoral researcher (Physical Science Divison)
Employment
Source: Self-asserted source
Soumen Ghosh

Max Planck Institute for Coal Research: Mülheim, DE

2018-09-01 to 2021-06-30 | Postdoctoral researcher (Molecular Theory and Spectroscopy)
Employment
Source: Self-asserted source
Soumen Ghosh

Education and qualifications (3)

University of Minnesota: MN, MN, US

2013-08 to 2018-06-30 | PhD (Department of Chemistry)
Education
Source: Self-asserted source
Soumen Ghosh

Indian Institute of Technology Bombay: Mumbai, Maharashtra, IN

2011 to 2013 | M. Sc. (Department of Chemistry)
Education
Source: Self-asserted source
Soumen Ghosh

University of Calcutta: Kolkata, West Bengal, IN

2008 to 2011 | B. Sc. (Department of Chemistry)
Education
Source: Self-asserted source
Soumen Ghosh

Works (26)

Understanding the Empirical Shifts Required for Quantitative Computation of X-ray Spectroscopy

The Journal of Physical Chemistry C
2024-07-04 | Journal article
DOI: 10.1021/acs.jpcc.4c01750
Contributors: Avijit Sen; Soumen Ghosh
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A Combined Wave Function and Density Functional Approach for K-Edge X-ray Absorption Near-Edge Spectroscopy: A Case Study of Hydrated First-Row Transition Metal Ions

The Journal of Physical Chemistry Letters
2023-06-08 | Journal article
DOI: 10.1021/acs.jpclett.3c00611
Contributors: Soumen Ghosh; Shaul Mukamel; Niranjan Govind
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Near-Quantitative Predictions of the First-Shell Coordination Structure of Hydrated First-Row Transition Metal Ions Using K-Edge X-ray Absorption Near-Edge Spectroscopy

The Journal of Physical Chemistry Letters
2022-07-14 | Journal article
DOI: 10.1021/acs.jpclett.2c01532
Contributors: Soumen Ghosh; Harsh Agarwal; Mirza Galib; Ba Tran; Mahalingam Balasubramanian; Nirala Singh; John L. Fulton; Niranjan Govind
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Origin of the Failure of Density Functional Theories in Predicting Inverted Singlet–Triplet Gaps

The Journal of Physical Chemistry A
2022-03-03 | Journal article
DOI: 10.1021/acs.jpca.1c10492
Contributors: Soumen Ghosh; Kalishankar Bhattacharyya
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Addressing the System-Size Dependence of the Local Approximation Error in Coupled-Cluster Calculations

The Journal of Physical Chemistry A
2021-11-18 | Journal article
DOI: 10.1021/acs.jpca.1c09106
Contributors: Ahmet Altun; Soumen Ghosh; Christoph Riplinger; Frank Neese; Giovanni Bistoni
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Origin of The Failure of Density Functional Theories in Predicting Inverted Singlet-Triplet Gaps

2021-07-19 | Preprint
DOI: 10.26434/chemrxiv-2021-b1qph-v2
Contributors: Soumen Ghosh; Kalishankar Bhattacharyya
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Origin of The Failure of Density Functional Theories in Predicting Inverted Singlet-Triplet Gaps

2021-07-19 | Other
DOI: 10.33774/chemrxiv-2021-b1qph-v2
Contributors: Soumen Ghosh; Kalishankar Bhattacharyya
Source: check_circle
Crossref

Origin of The Failure of Density Functional Theories in Predicting Inverted Singlet-Triplet Gaps

2021-07-09 | Preprint
DOI: 10.26434/chemrxiv-2021-b1qph
Contributors: Soumen Ghosh; Kalishankar Bhattacharyya
Source: check_circle
Crossref
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Origin of The Failure of Density Functional Theories in Predicting Inverted Singlet-Triplet Gaps

2021-07-09 | Other
DOI: 10.33774/chemrxiv-2021-b1qph
Contributors: Soumen Ghosh; Kalishankar Bhattacharyya
Source: check_circle
Crossref

Fragment-Based Local Coupled Cluster Embedding Approach for the Quantification and Analysis of Noncovalent Interactions: Exploring the Many-Body Expansion of the Local Coupled Cluster Energy

Journal of Chemical Theory and Computation
2021-06-08 | Journal article
DOI: 10.1021/acs.jctc.1c00005
Contributors: Soumen Ghosh; Frank Neese; Róbert Izsák; Giovanni Bistoni
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A new density for transition properties within the similarity transformed equation of motion approach

Molecular Physics
2020 | Journal article
DOI: 10.1080/00268976.2020.1818858
EID:

2-s2.0-85090935651

Part of ISSN: 13623028 00268976
Contributors: Ghosh, S.; Kumar Dutta, A.; de Souza, B.; Berraud-Pache, R.; Izsák, R.
Source: Self-asserted source
Soumen Ghosh via Scopus - Elsevier

NWChem: Past, present, and future

arXiv
2020 | Other
EID:

2-s2.0-85095107789

Part of ISSN: 23318422
Contributors: Aprà, E.; Bylaska, E.J.; de Jong, W.A.; Govind, N.; Kowalski, K.; Straatsma, T.P.; Valiev, M.; van Dam, H.J.J.; Alexeev, Y.; Anchell, J. et al.
Source: Self-asserted source
Soumen Ghosh via Scopus - Elsevier

NWChem: Past, present, and future

Journal of Chemical Physics
2020 | Journal article
DOI: 10.1063/5.0004997
EID:

2-s2.0-85084785862

Part of ISSN: 10897690 00219606
Contributors: Aprà, E.; Bylaska, E.J.; De Jong, W.A.; Govind, N.; Kowalski, K.; Straatsma, T.P.; Valiev, M.; Van Dam, H.J.J.; Alexeev, Y.; Anchell, J. et al.
Source: Self-asserted source
Soumen Ghosh via Scopus - Elsevier

Revised M11 Exchange-Correlation Functional for Electronic Excitation Energies and Ground-State Properties

The Journal of Physical Chemistry A
2019-04-04 | Journal article
DOI: 10.1021/acs.jpca.8b11499
Contributors: Pragya Verma; Ying Wang; Soumen Ghosh; Xiao He; Donald G. Truhlar
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A semiempirical effective Hamiltonian based approach for analyzing excited state wave functions and computing excited state absorption spectra using real-time dynamics

The Journal of Chemical Physics
2019-03-14 | Journal article
DOI: 10.1063/1.5061746
Contributors: Soumen Ghosh; Jason C. Asher; Laura Gagliardi; Christopher J. Cramer; Niranjan Govind
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Combining Wave Function Methods with Density Functional Theory for Excited States

Chemical Reviews
2018 | Journal article
DOI: 10.1021/acs.chemrev.8b00193
EID:

2-s2.0-85051254235

Part of ISSN: 15206890 00092665
Contributors: Ghosh, S.; Verma, P.; Cramer, C.J.; Gagliardi, L.; Truhlar, D.G.
Source: Self-asserted source
Soumen Ghosh via Scopus - Elsevier

Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes

The Journal of Organic Chemistry
2018-02-16 | Journal article
DOI: 10.1021/acs.joc.7b02756
Contributors: Lafe J. Purvis; Xingxian Gu; Soumen Ghosh; Zhuoran Zhang; Christopher J. Cramer; Christopher J. Douglas
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Generalized-active-space pair-density functional theory: an efficient method to study large, strongly correlated, conjugated systems

Chemical Science
2017 | Journal article
DOI: 10.1039/c6sc05036k
EID:

2-s2.0-85016472296

Part of ISSN: 20416539 20416520
Contributors: Ghosh, S.; Cramer, C.J.; Truhlar, D.G.; Gagliardi, L.
Source: Self-asserted source
Soumen Ghosh via Scopus - Elsevier

Partial Fluorination as a Strategy for Crystal Engineering of Rubrene Derivatives

Crystal Growth and Design
2017 | Journal article
DOI: 10.1021/acs.cgd.6b01497
EID:

2-s2.0-85011321652

Part of ISSN: 15287505 15287483
Contributors: Ogden, W.A.; Ghosh, S.; Bruzek, M.J.; Mcgarry, K.A.; Balhorn, L.; Young, V.; Purvis, L.J.; Wegwerth, S.E.; Zhang, Z.; Serratore, N.A. et al.
Source: Self-asserted source
Soumen Ghosh via Scopus - Elsevier

Modeling Optical Spectra of Large Organic Systems Using Real-Time Propagation of Semiempirical Effective Hamiltonians

Journal of Chemical Theory and Computation
2017-09-12 | Journal article
DOI: 10.1021/acs.jctc.7b00618
Contributors: Soumen Ghosh; Amity Andersen; Laura Gagliardi; Christopher J. Cramer; Niranjan Govind
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Charge Transport in 4 nm Molecular Wires with Interrupted Conjugation: Combined Experimental and Computational Evidence for Thermally Assisted Polaron Tunneling

ACS Nano
2016 | Journal article
DOI: 10.1021/acsnano.5b08126
EID:

2-s2.0-84968813885

Part of ISSN: 1936086X 19360851
Contributors: Taherinia, D.; Smith, C.E.; Ghosh, S.; Odoh, S.O.; Balhorn, L.; Gagliardi, L.; Cramer, C.J.; Frisbie, C.D.
Source: Self-asserted source
Soumen Ghosh via Scopus - Elsevier

Erratum: Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer (J. Chem. Theory Comput. (2015) 11(8) (3643-3649) DOI:10.1021/acs.jctc.5b00456)

Journal of Chemical Theory and Computation
2016 | Journal article
DOI: 10.1021/acs.jctc.5b01116
EID:

2-s2.0-84954461554

Part of ISSN: 15499626 15499618
Contributors: Ghosh, S.; Sonnenberger, A.L.; Hoyer, C.E.; Truhlar, D.G.; Gagliardi, L.
Source: Self-asserted source
Soumen Ghosh via Scopus - Elsevier

Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation

Journal of Physical Chemistry Letters
2016 | Journal article
DOI: 10.1021/acs.jpclett.5b02773
EID:

2-s2.0-84957565081

Part of ISSN: 19487185
Contributors: Hoyer, C.E.; Ghosh, S.; Truhlar, D.G.; Gagliardi, L.
Source: Self-asserted source
Soumen Ghosh via Scopus - Elsevier

Length-Dependent Nanotransport and Charge Hopping Bottlenecks in Long Thiophene-Containing π-Conjugated Molecular Wires

Journal of the American Chemical Society
2015 | Journal article
DOI: 10.1021/jacs.5b07400
EID:

2-s2.0-84952803379

Part of ISSN: 15205126 00027863
Contributors: Smith, C.E.; Odoh, S.O.; Ghosh, S.; Gagliardi, L.; Cramer, C.J.; Frisbie, C.D.
Source: Self-asserted source
Soumen Ghosh via Scopus - Elsevier

Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer

Journal of Chemical Theory and Computation
2015 | Journal article
DOI: 10.1021/acs.jctc.5b00456
EID:

2-s2.0-84938944993

Part of ISSN: 15499626 15499618
Contributors: Ghosh, S.; Sonnenberger, A.L.; Hoyer, C.E.; Truhlar, D.G.; Gagliardi, L.
Source: Self-asserted source
Soumen Ghosh via Scopus - Elsevier

Enhancing the double exchange interaction in a mixed valence {V <sup>III</sup>-V<sup>II</sup>} pair: A theoretical perspective

Dalton Transactions
2013 | Journal article
DOI: 10.1039/c3dt51935j
EID:

2-s2.0-84887513417

Part of ISSN: 14779226 14779234
Contributors: Ghosh, S.; Singh, S.K.; Tewary, S.; Rajaraman, G.
Source: Self-asserted source
Soumen Ghosh via Scopus - Elsevier

Peer review (8 reviews for 3 publications/grants)

Review activity for Journal of chemical theory and computation : (5)
Review activity for Proceedings of the Indian Academy of Sciences. Chemical sciences (1)
Review activity for Spectrochimica acta. (2)
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