DR. SOUMEN GHOSH

Soumen Ghosh is an Assistant Professor at the Department of Chemistry, IIT Madras, His research is mainly focused on the development of quantum mechanical electronic structure methods to model electron transfer processes, spectroscopic properties and noncovalent interactions in different chemical systems. During his PhD at University of Minnesota in the USA, he developed and applied different electronic structure methods to model charge and energy transfer processes in organic electronic materials. As an Alexander von Humboldt postdoctoral fellow at Max-Planck-Institute for Coal Research in Germany, he worked on the development of low scaling quantum chemical methods for excited states and noncovalent interactions. Later during his second postdoctoral stint at Pacific Northwest National Laboratory in the USA, he developed computational methods for modeling linear and nonlinear X-ray spectroscopic signals. In March 2023, he joined as an Assistant Professor in the Department of Chemistry at IIT Indore. He moved to IIT Madras in October 2023.

  Soumen Ghosh * , Shaul Mukamel, Niranjan Govind. 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. J. Phys. Chem. Lett. 2023. 14, 5203- 5209.

Soumen Ghosh, Harsh Agarwal, Mirza Galib, Ba Tran, Mahalingam Balasubramanian, Nirala Singh, John L. Fulton and Niranjan Govind. Near-Quantitative Predictions of First- Shell Coordination Structure of Hydrated First-Row Transition Metal Ions Using K-Edge X- ray Absorption Near Edge Spectroscopy. J. Phys. Chem. Lett. 2022, 13, 6323–6330.

Soumen Ghosh * and Kalishankar Bhattacharyya. Origin of the Failure of Density Functional Theories in Predicting Inverted Singlet-Triplet Gaps. J. Phys. Chem. A 2022, 126, 1378-1385.

Soumen Ghosh, Frank Neese, Róbert Izsák and Giovanni Bistoni. A 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. J. Chem. Theory Comput. 2021, 17, 3348-3359.

Soumen Ghosh, Amity Andersen, Laura Gagliardi, Christopher J. Cramer and Niranjan Govind. Modeling Optical Spectra of Large Organic Systems using Real-Time Propagation of Semiempirical Effective Hamiltonians. J. Chem. Theory Comput. 2017, 13, 4410−4420.

Soumen Ghosh, Christopher J. Cramer, Donald G. Truhlar, and Laura Gagliardi. Generalized-Active-Space Pair-Density Functional Theory: An Efficient Method to Study Large, Strongly Correlated, Conjugated Systems. Chem. Sci. 2017, 8, 2741-2750.