News
03/06/2024
03/06/2024
We are excited to welcome three MSc project students- Aditya Roy, Swrangsar Basumatary and Chitralekha Beypi. We also welcome Institute Summer Fellow Anakha Anand.
We are excited to welcome three MSc project students- Aditya Roy, Swrangsar Basumatary and Chitralekha Beypi. We also welcome Institute Summer Fellow Anakha Anand.
05/01/2024
05/01/2024
Dr. Soumen Ghosh has been selected as an Early Career Board member for the Journal of Chemical Theory and Computation!
Dr. Soumen Ghosh has been selected as an Early Career Board member for the Journal of Chemical Theory and Computation!
30/10/2023
30/10/2023
Our research group has moved to the Department of Chemistry at Indian Institute of Technology Madras!!
Our research group has moved to the Department of Chemistry at Indian Institute of Technology Madras!!
31/05/2023
31/05/2023
Our paper "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" is now online in J. Phys. Chem. Lett. In this article, we have shown performance of MC-PDFT for K-edge XANES of transition metal complexes.
Our paper "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" is now online in J. Phys. Chem. Lett. In this article, we have shown performance of MC-PDFT for K-edge XANES of transition metal complexes.
20/03/2023
20/03/2023
Dr. Ghosh has joined as an Assistant Professor in the Department of Chemistry at Indian Institute of Technology Indore!!
Dr. Ghosh has joined as an Assistant Professor in the Department of Chemistry at Indian Institute of Technology Indore!!
27/02/2023
27/02/2023
I have been awarded an INSPIRE Faculty Fellowship by the Government of India to conduct research at a host institute. The award comprises a monthly stipend and a research grant of Rs. 700000/year for five years.
I have been awarded an INSPIRE Faculty Fellowship by the Government of India to conduct research at a host institute. The award comprises a monthly stipend and a research grant of Rs. 700000/year for five years.
06/07/2022
06/07/2022
Our paper "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" is now online in J. Phys. Chem. Lett. In this article, we have explored K-edge XANES for first row transition metal ions both experimentally and computationally for the first time.
Our paper "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" is now online in J. Phys. Chem. Lett. In this article, we have explored K-edge XANES for first row transition metal ions both experimentally and computationally for the first time.
11/02/2022
11/02/2022
My first paper as a corresponding author is now online- "Origin of the Failure of Density Functional Theories in Predicting Inverted Singlet–Triplet Gaps''. This is featured as a cover article. Here we have explored the reasons behind the failure of density functional theories in computing inverted singlet-triplet gaps and provided solutions to the problem.
My first paper as a corresponding author is now online- "Origin of the Failure of Density Functional Theories in Predicting Inverted Singlet–Triplet Gaps''. This is featured as a cover article. Here we have explored the reasons behind the failure of density functional theories in computing inverted singlet-triplet gaps and provided solutions to the problem.
30/08/2021
30/08/2021
I have joined a new postdoctoral position at the Pacific Northwest National Laboratory. My research at PNNL will focus on X-ray spectroscopy and ultrafast processes.
I have joined a new postdoctoral position at the Pacific Northwest National Laboratory. My research at PNNL will focus on X-ray spectroscopy and ultrafast processes.
09/07/2021
09/07/2021
My first submission to ChemRxiv with Dr. kalishankar Bhattacharyya where we look into the reasons behind the failure of density functional theories in calculating inverted singlet-triplet gaps is now online.
My first submission to ChemRxiv with Dr. kalishankar Bhattacharyya where we look into the reasons behind the failure of density functional theories in calculating inverted singlet-triplet gaps is now online.
https://chemrxiv.org/engage/chemrxiv/article-details/60f456f9f1a54f53b750baf6
https://chemrxiv.org/engage/chemrxiv/article-details/60f456f9f1a54f53b750baf6
25/05/2021
25/05/2021
Our paper “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” is now published in the Journal of Chemical Theory and Computation.
Our paper “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” is now published in the Journal of Chemical Theory and Computation.
04/06/2020
04/06/2020
Our paper "“Revised M11 Exchange-Correlation Functional for Electronic Excitation Energies and Ground-State Properties,” is selected for the JPC Virtual Issue on New Tools and Methods in Physical Chemistry Research.
Our paper "“Revised M11 Exchange-Correlation Functional for Electronic Excitation Energies and Ground-State Properties,” is selected for the JPC Virtual Issue on New Tools and Methods in Physical Chemistry Research.
19/03/2019
19/03/2019
I have been awarded an Alexander von Humboldt fellowship from June, 2019 - May, 2021 to conduct research on "A New and Accurate Method for Modelling Excited States in Large Open-shell Chemical Systems".
I have been awarded an Alexander von Humboldt fellowship from June, 2019 - May, 2021 to conduct research on "A New and Accurate Method for Modelling Excited States in Large Open-shell Chemical Systems".
25/07/2018
25/07/2018
Our review on combined WFT and DFT based methods for excited states is now online!
Our review on combined WFT and DFT based methods for excited states is now online!
22/06/2018
22/06/2018
Defended my thesis titled "Static and Dynamic Charge and Energy Transport in Organic Electronics" on 22nd June, 2018. Picture is with all my committee members (left to right)- Prof. David Blank, Prof. Donald G. Truhlar, Prof. Turan Birol, Prof. Christopher J. Cramer, Dr. Niranajan Govind and Prof. Laura Gagliardi.
Defended my thesis titled "Static and Dynamic Charge and Energy Transport in Organic Electronics" on 22nd June, 2018. Picture is with all my committee members (left to right)- Prof. David Blank, Prof. Donald G. Truhlar, Prof. Turan Birol, Prof. Christopher J. Cramer, Dr. Niranajan Govind and Prof. Laura Gagliardi.