University of Minnesota
University of Minnesota
College of Science and Engineering > Department of Chemistry

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Research Interests


Organic electronics; Ground- and excited- state charge transfer; Pair-density functional theory; Real-time dynamics; Molecular Magnetism.

Check out my ResearchGate Profile for my most up to date research.



BSc. Chemistry:University of Calcutta, 2011

MSc. Chemistry: Indian Institute of Technology, Bombay, 2013

MS. Chemistry: University of Minnesota, 2015


Ghosh, Soumen; Singh, S. K.; Tewary, S.; Gopalan, R. "Enhancing the Double Exchange in Mixed Valence {VII-VIII} pair: A Theoretical Perspective" Dalton. Trans. 2013, 42, 16490-16493.

Ghosh, Soumen; Sonnenberger, A. L; Hoyer, C. E.; Truhlar, D. G.; Gagliardi, L. "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, 3643-3649.

Smith, C.; Odoh, S. O.; Ghosh, Soumen; Gagliardi, L.; Cramer, C. J.; Frisbie, C. D. "Length Dependent Nanotransport and Charge Hopping Bottlenecks in Long Thiophene-Containing π-Conjugated Molecular Wires" J. Am. Chem. Soc. 2015, 137, 15732-15741.

Hoyer, C. E.; Ghosh, Soumen; Truhlar, D. G.; Gagliardi, L. "Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation" J. Phys. Chem. Lett. 2016, 7, 586-591.

Taherinia, D.; Smith, C.; Ghosh, Soumen; Odoh, S. O.; Balhorn, L.; Gagliardi, L.; Cramer, C. J.; Frisbie, C. D. "Charge Transport in 4 nm Molecular Wires with Interrupted Conjugation: Combined Experimental and Computational Evidence for Thermally-Assisted Polaron Tunneling" ACS Nano 2016, 10, 4372-4383.

Ogden, W. A.; Ghosh, Soumen; Bruzek, M. J.; McGarry, K. A.; Balhorn, L.; Young, V., Jr.; Purvis, L. J.; Wegwerth, S. E.; Zhang, Z.; Serratore, N. A.; Cramer, C. J.; Gagliardi, L.; Douglas, C. J. "Partial Fluorination as a Strategy for Crystal Engineering of Rubrene Derivatives" Cryst. Growth Des. 2017, DOI:10.1021/acs.cgd.6b01497

Ghosh, Soumen; Cramer, C. J.; Truhlar, D. G.; Gagliardi, L. "Generalized-Active-Space Pair-Density Functional Theory: An Efficient Method to Study Large, Strongly Correlated, Conjugated Systems" Chem. Sci.,2017,8, 2741-2750.

Ghosh, Soumen; Andersen, A.; Gagliardi, L.; Cramer, C. J.; Govind, N."Modeling Optical Spectra of Large Organic Systems Using Real-Time Propagation of Semiempirical Effective Hamiltonians" J. Chem. Theory Comput. doi:10.1021/acs.jctc.7b00618.



Soumen Ghosh

5th Year Grad. Student

101 Smith Hall

University of Minnesota
Department of Chemistry
139 Smith Hall
207 Pleasant St. SE
Minneapolis, MN 55455-0431

Phone: 612-624-1535
Fax: 612-626-7541

Email: ghosh048(at)