All Publications
All Publications
Embedded Files
2025
Soumyadeep Ghosh, Elena Akhmatskaya, Hector Garcia Martin, Tijana Radivojevic, Hans Johansen, Tyler W. H. Backman, “BayFlux2.0-Accelerated Metabolic Modeling with High-Performance Computing and Multiple Proposal MCMC”, [In preparation] (2025)
Soumyadeep Ghosh, Apostolos Zournas, Hector Garcia Martin, Hans Johansen, Tyler W. H. Backman, “Scalable Bayesian Surrogate Modeling of Genome-Scale Metabolic Fluxes with Accelerated Multiple Proposal MCMC”, [In preparation] (2025)
Soumyadeep Ghosh, Jeffrey Czajka, Hector Garcia Martin, Hans Johansen, Tyler W. H. Backman, “Tailoring BayFlux for Automation: Applications in Pseudomonas putida”, [In preparation] (2025)
Carlos Mora Perez, Soumyadeep Ghosh, Drew M. Glenna, Oliver Gessner, Jin Qian, "Electronic Structure and Work Functions of Gold Nanoparticle-TiO2 Interfaces: Influence of Nanoparticle Size, Shape and Surface Modeling" [communicated] (2025)
2024
Soumyadeep Ghosh, Elena Akhmatskaya, Hector Garcia Martin, Tijana Radivojevic, Hans Johansen, Tyler W. H. Backman, “Accelerating Inverse Metabolic Modeling via High Performance Parallel Computing”, [COBRA conference] (2024)
J. Kim, Soumyadeep Ghosh, N. W. G. Smith, S. Liu, Y. Dou, C. Slebodnick, G. A. Khodaparast, J. Qian, L. Quan “Synthetic Control of Water-Stable Hybrid Perovskitoid Semiconductors”, Adv. Mater. 2406274 (2024) [Abstract].
2023
Soumyadeep Ghosh and Haranath Ghosh, “As K-edge absorption at high pressures in AFeAs (A=Na/Li): first principles results”, Journal of Electron Spectroscopy and Related Phenomena 263, 147286 (2023) [Abstract]
Debasmita Swain, Soumyadeep Ghosh, K. Bera, Sven Friedemann, Haranath Ghosh, Anushree Roy, Sitikantha D. Das, “Possible signature of broken symmetry state near the quantum critical point in P doped BaFe2As2: A Raman spectroscopy study”, Physica C: Superconductivity and its Applications 606, 1354211 (2023). [Abstract]
2022
Chang Liu, Philippe Bourges, Yvan Sidis, Tao Xie, Guanghong He, Frederic Bourdarot, Sergey Danilkin, Haranath Ghosh, Soumyadeep Ghosh, Xiaoyan Ma, Shiliang Li, Yuan Li, and Huiqian Luo. “Preferred Spin Excitations in the Bilayer Iron-Based Superconductor CaK(Fe0.96Ni0.04)4As4 with Spin-Vortex Crystal Order”, Physical Review Letters 128, 137003 (2022), [Abstract]
Soumyadeep Ghosh and Haranath Ghosh, “Pressure induced Lifshitz transition and anomalous crystal field splitting in AFeAs (A=Li/Na) Fe-based superconducting compounds: A first principles study” Computational Materials Science 204, 111170 (2022), [Abstract]
Soumyadeep Ghosh and Haranath Ghosh, “Core electron spectroscopic studies on new structure type iron based superconductors CaKFe4As4 and KCa2Fe4As4F2: DFT predictions”, Journal of Physics and Chemistry of Solids 160, 110310 (2022) [Abstract]
Soumyadeep Ghosh and Haranath Ghosh, “Excitonic effects in Fe/As K-edge absorption for iron based superconductors; a combined DFT and BSE analysis”, Advanced Theory and Simulations 5 (3), 2100525 (2022) [Abstract]
Soumyadeep Ghosh and Haranath Ghosh, “Core Electron Spectroscopic Studies for 11 iron based Superconductors”, Materials Today Proceedings 48, 644 (2022). [Abstract]
2021
Soumyadeep Ghosh and Haranath Ghosh, “Sensitivity of As K-edge absorption to rare earth (RE) doping in Ca1-xRExFeAs2 : A first principles study”, Journal of Physics and Chemistry of Solids 153, 109993 (2021). [Abstract]
Soumyadeep Ghosh and Haranath Ghosh, “High pressure core electron spectroscopy in 111 Fe-based superconducting materials: A first principles study”, Computational Materials Science 192, 110316 (2021). [Abstract]
Soumyadeep Ghosh, Rukshana Pervin, Haranath Ghosh, M. K. Tiwari, and P. M. Shirage, “Near edge absorption studies of pure and impure NbSe2; Theory and Experiment”, Journal of Materials Science 56, 17062 (2021), [Abstract]
2020
Soumyadeep Ghosh and Haranath Ghosh, “As-L-edge Absorption Spectra of Ca1-xRExFeAs2 Superconducting Materials: a DFT Study”, AIP Conference Proceedings 2265, 030342 (2020). [Abstract]
Abyay Ghosh, Soumyadeep Ghosh and Haranath Ghosh, “Electron correlation induced orbital selective Lifshitz transition in new hybrid 12442 iron based superconductors” , Computational Materials Science 183, 109802 (2020). [Abstract]
2019
Haranath Ghosh, Soumyadeep Ghosh and Abyay Ghosh, "Doping site identification in 112 iron pnictides through first principles core electron spectroscopic study" , J. Synchrotron Rad. 26, 1367–1373 (2019). [Abstract]
SOFTWARE Development
SOFTWARE Development
Soumyadeep Ghosh, Elena Akhmatskaya, Hector Garcia Martin, Tijana Radivojevic, Hans Johansen, Tyler W. H. Backman, “Accelerating Inverse Metabolic Modeling via High Performance Parallel Computing”, [communicated in COBRA conference] (2024)
Core Electron X-ray Spectroscopy
Core Electron X-ray Spectroscopy
Haranath Ghosh, Soumyadeep Ghosh and Abyay Ghosh, "Doping site identification in 112 iron pnictides through first principles core electron spectroscopic study" , J. Synchrotron Rad. 26, 1367–1373 (2019). https://doi.org/10.1107/S1600577519005800
Soumyadeep Ghosh and Haranath Ghosh, “Sensitivity of As K-edge absorption to rare earth (RE) doping in Ca1-xRExFeAs2 : A first principles study”, Journal of Physics and Chemistry of Solids 153, 109993 (2021). https://doi.org/10.1016/j.jpcs.2021.109993
Soumyadeep Ghosh and Haranath Ghosh, “High pressure core electron spectroscopy in 111 Fe-based superconducting materials: A first principles study”, Computational Materials Science 192, 110316 (2021). https://doi.org/10.1016/j.commatsci.2021.110316
Soumyadeep Ghosh, Rukshana Pervin, Haranath Ghosh, M. K. Tiwari, and P. M. Shirage, “Near edge absorption studies of pure and impure NbSe2; Theory and Experiment”, Journal of Materials Science 56, 17062 (2021), https://doi.org/10.1007/s10853-021-06375-2
Soumyadeep Ghosh and Haranath Ghosh, “Core electron spectroscopic studies on new structure type iron based superconductors CaKFe4As4 and KCa2Fe4As4F2: DFT predictions”, Journal of Physics and Chemistry of Solids 160, 110310 (2022) https://doi.org/10.1016/j.jpcs.2021.110310
Soumyadeep Ghosh and Haranath Ghosh, “Excitonic effects in Fe/As K-edge absorption for iron based superconductors; a combined DFT and BSE analysis”, Advanced Theory and Simulations 5 (3), 2100525 (2022) https://doi.org/10.1002/adts.202100525
Soumyadeep Ghosh and Haranath Ghosh, “As K-edge absorption at high pressures in AFeAs (A=Na/Li): first principles results”, Journal of Electron Spectroscopy and Related Phenomena 263, 147286 (2023) https://doi.org/10.1016/j.elspec.2023.147286
Soumyadeep Ghosh and Haranath Ghosh, “As-L-edge Absorption Spectra of Ca1-xRExFeAs2 Superconducting Materials: a DFT Study”, AIP Conference Proceedings 2265, 030342 (2020). https://doi.org/10.1063/5.0017552
Soumyadeep Ghosh and Haranath Ghosh, “Core Electron Spectroscopic Studies for 11 iron based Superconductors”, Materials Today Proceedings 48, 644 (2022). https://doi.org/10.1016/j.matpr.2021.06.194
Electronic Structure
Electronic Structure
J. Kim, Soumyadeep Ghosh, N. W. G. Smith, S. Liu, Y. Dou, C. Slebodnick, G. A. Khodaparast, J. Qian, L. Quan “Synthetic Control of Water-Stable Hybrid Perovskitoid Semiconductors”, Adv. Mater. 2406274 (2024) [Abstract].
Chang Liu, Philippe Bourges, Yvan Sidis, Tao Xie, Guanghong He, Frederic Bourdarot, Sergey Danilkin, Haranath Ghosh, Soumyadeep Ghosh, Xiaoyan Ma, Shiliang Li, Yuan Li, and Huiqian Luo. “Preferred Spin Excitations in the Bilayer Iron-Based Superconductor CaK(Fe0.96Ni0.04)4As4 with Spin-Vortex Crystal Order”, Physical Review Letters 128, 137003 (2022), doi.org/10.1103/PhysRevLett.128.137003
Soumyadeep Ghosh and Haranath Ghosh, “Pressure induced Lifshitz transition and anomalous crystal field splitting in AFeAs (A=Li/Na) Fe-based superconducting compounds: A first principles study” Computational Materials Science 204, 111170 (2022), https://doi.org/10.1016/j.commatsci.2021.111170
Abyay Ghosh, Soumyadeep Ghosh and Haranath Ghosh, “Nematic like band splitting and crystal field splitting in newly discovered hybrid 12442 Fe based superconductors”, The European Physical Journal B 94, 201 (2021), https://doi.org/10.1140/epjb/s10051-021-00213-9
Abyay Ghosh, Soumyadeep Ghosh and Haranath Ghosh, “Electron correlation induced orbital selective Lifshitz transition in new hybrid 12442 iron based superconductors” , Computational Materials Science 183, 109802 (2020). https://doi.org/10.1016/j.commatsci.2020.109802
IR/raman spectroscopy
IR/raman spectroscopy
Debasmita Swain, Soumyadeep Ghosh, K. Bera, Sven Friedemann, Haranath Ghosh, Anushree Roy, Sitikantha D. Das, “Possible signature of broken symmetry state near the quantum critical point in P doped BaFe2As2: A Raman spectroscopy study”, Physica C: Superconductivity and its Applications 606, 1354211 (2023). https://doi.org/10.1016/j.physc.2023.1354211
Conferences/Workshops/Schools
Conferences/Workshops/Schools
Poster presentation, “Computational School on Electronic Excitations in Novel Materials Using the Yambo Code”, The Abdus Salam International Centre for Theoretical Physics (ICTP), Trieste, Italy, January 27-31, 2020
Poster presentation, “64th DAE Solid State Physics Symposium”, Indian Institute of Technology-Jodhpur, India, December 18-22, 2019
Oral presentation, “International Conference on Advances in Nanomaterials and Devices for Energy and Environment ICAN-2019”, ABV-Indian Institute of Information Technology and Management, Gwalior, India, January 27-29, 2019
Oral presentation, “Computationally Aided Materials Designing for Materials Genome”, Indian Institute of Technology-Indore, India, January 4-8, 2018
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