Publications

1. On Ultrafast X-ray Methods for Magnetism, Rajan Plumley, Sathya Chitturi, Cheng Peng, Tadesse Assefa, Nicholas Burdet, Lingjia Shen, Alex Reid, Georgi Dakovski, Matthew Seaberg, Frank O'Dowd, Sergio Montoya, Hongwei Chen, Alana Okullo, Sougata Mardanya, Stephen Kevan, Peter Fischer, Eric Fullerton, Sunil Sinha, William Colocho, Alberto Lutman, Franz-Joseph Decker, Sujoy Roy, Jun Fujioka, Yoshinori Tokura, Michael P. Minitti, Jeremy Johnson, Matthias Hoffmann, Michaela Amoo, Adrian Feiguin, Chuck Yoon, Jana Thayer, Yousseff Nashed, Chunjing Jia, Arun Bansil, Sugata Chowdhury, Aaron Lindenberg, Mike Dunne, Elizabeth Blackburn, Joshua Turner, Invited Paper Advanced of Physics X. (Under Review), arXiv:2305.07787 (2023).

2. Capturing dynamical correlations using implicit neural representations, Sathya Chitturi, Zhurun Ji, Alexander Petsch, Cheng Peng, Zhantao Chen, Rajan Plumley, Mike Dunne, Sougata Mardanya, Sugata Chowdhury, Hongwei Chen, Arun Bansil, Adrian Feiguin, Alexander Kolesnikov, Dharmalingam Prabhakaran, Stephen Hayden, Daniel Ratner, Chunjing Jia, Youssef Nashed, Joshua Turner, Nature Comm. (Under Review), arXiv:2304.03949 (2023).

3. Machine learning enabled experimental design and parameter estimation for ultrafast spin dynamics, Zhantao Chen, Cheng Peng, Alexander N. Petsch, Sathya R. Chitturi, Alana Okullo, Sugata Chowdhury, Chun Hong Yoon, Joshua J. Turner, Under Review.

4. The Evolution of Skyrmions in Centrosymmetric Materials. Sougata Mardanya, Jalen Garner, Alana Okulo, Sugata Chowdhury (In Preparation)

5. On Ultrafast X-ray Methods for Magnetism, R. Plumley, S. R. Chitturi, C. Peng, T. A. Assefa, N. Burdet, L. Shen, A. H. Reid, G. L. Dakovski, M. H. Seaberg, F. O’Dowd, S. A. Montoya, H. Chen, A. Okullo, S. Mardanya, S. D. Kevan, P. Fischer, E. E. Fullerton, S. K. Sinha, W. Colocho, A. Lutman, F.-J. Decker, S. Roy, J. Fujioka, Y. Tokura, M. P. Minitti, J. A. Johnson, M. Hoffmann, M. E. Amoo, A. Lindenberg, A. Feiguin, C. Yoon, J. Thayer, Y. Nashed, C. Jia, A. Bansil, S. Chowdhury, M. Dunne, E. Blackburn, and J. J. Turner; (in preparation).

6. Magnetic excitations on the spin-1 square lattice: a continuous parameterization using implicit neural representations, Under preparation

7. The Case for a Defect Genome Initiative, Qimin Yan, Swastik Kar, Sugata Chowdhury, and Arun Bansil, Accepted in Advanced Materials.

8. Anisotropy of the magnetic and transport properties in EuZn2SAs2; Zhi-Cheng Wang, Emily Been, Jonathan Gaudet, Gadeer Matook A. Alqasseri, Kyle Fruhling, Xiaohan Yao, Uwe Stuhr, Qinqing Zhu, Zhi Ren, Yi Cui, Chunjing Jia, Brian Moritz, Sugata Chowdhury, Thomas Devereaux, and Fazel Tafti, Phys. Rev. B 105, 165122, (2022). 

9. Intrinsic magnetic topological phases in MnBi2Se4; Baokai Wang, Anan Bari Sarkar, Gyanendra Dhakal, Madhab Neupane, Amit Agarwal, Arun Bansil, Sugata Chowdhury, and Bahadur Singh. (In-preparation)

10. On the Role of Defects in the Electronic Structure of MnBi2-xSbxTe4; D. Nevola,,  Kevin F. Garrity, N. Zaki, J.-Q. Yan, H. Miao, Sugata Chowdhury, and P. D. Johnson1 (In-preparation).

11. Bonding characteristics of the interfacial buffer layer in epitaxial graphene via density functional theory; Alana Okullo, Heather M. Hill, Albert F. Rigosi, Angela R. Hight Walker, Francesca Tavazza, and Sugata Chowdhury (In-Preparation)

12. On Ultrafast Methods for Magnetism (In-Preparation).

13. Computational Methods for Charge Density Waves in 2D Materials; Sugata Chowdhury, Albert F. Rigosi, Patrick M. Vora, Heather M. Hill, Angela R. Hight Walker, and Francesca Tavazza, Invited Review Paper, Nanomaterials 12, 504, (2022).

14. Tunning the Exotic Quantum Phase of MnA2X4 (A=Bi, Sb; X = Se, Te) by using Chemical substitution and External Magnetic Field, Sugata Chowdhury, Kevin Garrity, Francesca Tavazza (Under Review Phys Rev B).

15. Tunable spin polarization and electronic structure of bottom-up synthesized MoSi2N4 materials, Rajibul Islam, Barun Ghosh, Carmine Autieri, Sugata Chowdhury, Arun Bansil, Amit Agarwal, Bahadur Singh; Physical Review B 104 (20), L201112 (2022)  arXiv:2105.02739, 2021. 

16. Visualization of Experimental Raman Mode Behavior in Atomically Thin 2H-TaSe2 via Density Functional Theory; Sugata Chowdhury, Heather M. Hill, Albert F. Rigosi, Andrew Briggs, Helmuth Berger, David B. Newell, Angela R. Hight Walker, and Francesca Tavazza, ACS Applied Nano Materials, 4 (2), 1810-1816, 2021. 

17. Effect of van der Waals Interactions on Quantum Phase Transitions and Phonon Properties of 2H-TaSe2; Sugata Chowdhury, Heather M. Hill, Albert F. Rigosi, Andrew Briggs, Helmuth Berger, David B. Newell, Angela R. Hight Walker, and Francesca Tavazza. Advanced Theory and Simulations, 2100329 (2022), arXiv:2005.11350  2020.

18. Topological surface states of MnBi2Te4 at finite temperatures and at domain walls. Kevin Garrity, Sugata Chowdhury, Francesca Tavazza. arXiv:2003.03439v1. Phys Rev Mat, 5 (2), 024207 (2021).

19. Quantum Materials for Energy Efficient Computing, Sugata Chowdhury, Houlong Zhuang, Shawn Coleman, Srikanth Patala, and Jacob Blair; JOM 2020

20. First Principles Study of Spin Transport in LaSrMn-CNT-LaSrMn Magnetic Tunnel Junctions. Khurshed shah, Muhammad Parvaiz, Sugata Chowdhury, Olasunbo Farinre, and Prabhakar Misra. Computational Condensed Matter, e00486, 2020. 

21. Electronic transport in penta-graphene nanoribbon devices using carbon nanotube electrodes: A computational study. M. Shunaid Parvaiz , Khurshed A. Shah , G. N. Dar , Sugata Chowdhury, Olasunbo Farinre, Prabhakar Misra. Nnano: Phys. Chem. Math. 11 (2), 176, 2020.

22. Anomalous behavior of the Charge Density Wave phonons in 2H-TaS2; Jaydeep Joshi, Heather M. Hill, Sugata Chowdhury, Christos Malliakas, Francesca M. Tavazza, Utpal Chatterjee, Angela Hight Walker and Patrick M. Vora. Physical Review B. 99, 245144, 2019.

23. Phonon origin and lattice evolution in charge density wave states; Heather Hill, Sugata Chowdhury, J. Simpson, Francesca Tavazza, Angela Hight Walker. Physical Review B. 99, 174110, 2019. 

24. Editor Choice and Journal Cover Page: Magnetic Skyrmions in Atomic Thin  CrI3 Monolayer; Aroop K. Behera, Sugata Chowdhury, Suprem R. Das. Applied Physics Letters 114 (23), 232402, 2019. (Cover page and editor choice)

25. Strain Controlled Magnetic and Optical Properties of Monolayer 2H-TaSe2, Sugata Chowdhury, J. Simpson, T. L. Einstein, Angela R. Hight Walker.  arXiv:1812.09829, Physical Review Materials 3, 084004, 2019.

26. TiO2 rutile’s bulk structural and electronic properties: A DFT study on the importance of Exchange correlations and Pseudopotential; Sugata Chowdhury et al.  arxiv 1811.03783, 2019.

27. Prediction of Weyl semimetal, AFM topological insulator, nodal line semimetal, and Chern insulator phases in Bi2MnSe4; Sugata Chowdhury, Kevin Garrity, Francesca Tavazza. arxiv 1811.01863; npj Computational Materials, 5, 33, 2019.

28. Towards Efficient Optoelectronic Material Design using Density Functional Theory and Machine Learning; Kamal Choudhary,  Q Zhang, ACE Reid, Sugata Chowdhury, et al. Nature Scientific Data 5, 180082, 2018.

29. Probing the dielectric response of the interfacial buffer layer in epitaxial graphene via optical spectroscopy. Heather Hill, Albert Rigosi, Sugata Chowdhury et al. Phys Rev B, 96, 195437, 2017.

30. Structural, Magnetic, and Electronic Properties of Self-assembled Bi2Se3/Bi2MnSe4 Multilayer Heterostructures. Joseph A Hagmann, Xiang Li, Sugata Chowdhury el. al.  New Journal of Physics 19, 085002, 2017.

31.  Theoretical investigation of the evolution of band structure and topological phase of the three-dimensional topological insulator Bi2Se3 under mechanical strain. Steve M. Young, Sugata Chowdhury, Eric J. Walter, Eugene. J. Mele, Charles L. Kane, and Andrew M. Rappe.  Phys. Revs. B. 84, 085106, 2011.

32. Density functional theory study of the structure and energetics of negatively charged pyrroleoligomers.  Yafei Dai, Sugata Chowdhury, Estela Blaisten-Barojas. Int. J. Quantum Chem. 111, 2295, 2011.

33. Mechanistic investigation of the hydrogenation of O2 by a transfer hydrogenation catalyst. Sugata Chowdhury, Fahmi Himo, Nino Russo, Emilia Sicilia,  J. Am. Chem. Soc. 132, 4178, 2010.

34. Theoretical Investigation of Reaction of Molecular Oxygen with a PdII- Hydride To Produce a PdII-Hydroperoxide: Acid Catalysis and Implications for Pd-Catalyzed Aerobic Oxidation Reactions. Sugata Chowdhury, Ivan Rivalta, Nino Russo, Emilia Sicilia, Journal Chemical Theory and Computation, 4, 1283 2008.

35. The recognition of a new pathway for the reaction of molecular oxygen with a Pd(II)-hydride to produce a Pd(II)-hydroperoxide. to produce a Pd(II)-hydroperoxide.  Sugata Chowdhury, Ivan Rivalta, Nino Russo, Emilia Sicilia, Chem. Phys. Lett, 456, 41, 2008.

36. On the insertion mechanism of molecular oxygen into a Pd(II)-H bond. Something to add. Sugata Chowdhury, Ivan Rivalta, Nino Russo, Emilia Sicilia, Chem. Phys. Lett, 443, 183, 2007.

Book Chapter:

1. Recent Advances in Weyl Semimetal ( MnBi2Se4) and Axion Insulator ( MnBi2Te4); Sugata Chowdhury, Kevin Garrity, Francesca Lavazza; Spectroscopy and Characterization of Nanomaterials and Novel Materials: Experiments, Modeling, Simulations, and Applications edited by Prof. Prabhakar Misra, 2022.