Sugata Chowdhury

发表

Computational screening of high-performance optoelectronic materials using OptB88vdW and TB-mBJ formalisms

Kamal Choudhary, Francesca Tavazza, Marcus W. Newrock, 2018, Scientific data.

Effect of van der Waals Interactions on Quantum Phase Transitions and Resulting Phonon Properties of 2H-TaSe$_{2}$

D. Newell, F. Tavazza, G. Briggs, 2020, 2005.11350.

Examining Experimental Raman Mode Behavior in Mono- and Bi-layer 2H-TaSe$_{2}$ via Density Functional Theory.

D. Newell, F. Tavazza, H. Berger, 2020, 2012.02953.

Bonding characteristics of the interfacial buffer layer in epitaxial graphene via density functional theory

F. Tavazza, A. Walker, A. Rigosi, 2021, 2112.03711.

On the Role of Defects in the Electronic Structure of MnBi$_{2-x}$Sb$_x$Te$_4$

Jiaqiang Yan, K. Garrity, H. Miao, 2022, 2206.14325.

Electronic transport in penta-graphene nanoribbon devices using carbon nanotube electrodes: A computational study

K. Shah, Sugata Chowdhury, P. Misra, 2020 .

Topological Phases of Mn$A_{2}$$X_{4}$ (A=Bi, Sb; X = Se, Te) under Magnetic Field

K. Garrity, F. Tavazza, Sugata Chowdhury, 2022, 2202.07061.

Computational screening of high-performance optoelectronic materials using OptB88vdW and TB-mBJ formalisms

Marcus W. Newrock, Faical Y. Congo, F. Tavazza, 2018, Scientific Data.

Anisotropy of the magnetic and transport properties of EuZn2As2

J. Gaudet, T. Devereaux, B. Moritz, 2022, Physical Review B.

Theoretical Investigation of the Evolution of the Topological Phase of Bi 2 Se 3 under Mechanical Strain

C. Kane, S. Young, A. Rappe, 2011, 1106.5556.

Testing the data framework for an AI algorithm in preparation for high data rate X-ray facilities

Sathya R. Chitturi, D. Ratner, J. Turner, 2022, 2022 4th Annual Workshop on Extreme-scale Experiment-in-the-Loop Computing (XLOOP).

Probing the dielectric response of the interfacial buffer layer in epitaxial graphene via optical spectroscopy.

D. Newell, F. Tavazza, A. H. Hight Walker, 2017, Physical review. B.

Mechanistic investigation of the hydrogenation of O(2) by a transfer hydrogenation catalyst.

N. Russo, F. Himo, E. Sicilia, 2010, Journal of the American Chemical Society.

Theoretical Investigation of the Mechanism of Acid-Catalyzed Oxygenation of a Pd(II)-Hydride To Produce a Pd(II)-Hydroperoxide.

N. Russo, I. Rivalta, E. Sicilia, 2008, Journal of chemical theory and computation.

On the insertion mechanism of molecular oxygen into a Pd(II) H bond. Something to add

N. Russo, I. Rivalta, E. Sicilia, 2007 .

Short-range charge density wave order in 2H−TaS2

P. Vora, F. Tavazza, C. Malliakas, 2019, Physical Review B.

Prediction of Weyl semimetal and antiferromagnetic topological insulator phases in Bi2MnSe4

K. Garrity, F. Tavazza, Sugata Chowdhury, 2019, npj Computational Materials.

Prediction of Weyl semimetal, AFM topological insulator, nodal line semimetal, and Chern insulator phases in Bi2MnSe4.

National Institute of Standards, Technology, K. Garrity, 2018, 1811.01863.

Computational Methods for Charge Density Waves in 2D Materials

P. Vora, F. Tavazza, A. H. Hight Walker, 2022, Nanomaterials.

Review of Theoretical and Computational Methods for 2D Materials Exhibiting Charge Density Waves

P. Vora, F. Tavazza, A. Walker, 2022, 2201.06615.

Examining Experimental Raman Mode Behavior in Mono- and Bilayer 2H-TaSe2 via Density Functional Theory: Implications for Quantum Information Science.

D. Newell, F. Tavazza, H. Berger, 2021, ACS applied nano materials.

Influence of Dimensionality on the Charge Density Wave Phase of 2H‐TaSe2

D. Newell, F. Tavazza, A. H. Hight Walker, 2020, Advanced Theory and Simulations.

Phonon origin and lattice evolution in charge density wave states.

J. Simpson, D. Newell, F. Tavazza, 2019, Physical review. B.

Molecular beam epitaxy growth and structure of self-assembled Bi2Se3/Bi2MnSe4 multilayer heterostructures

J. Furdyna, C. Richter, S. Rouvimov, 2017 .

Topological surface states of MnBi2Te4 at finite temperatures and at domain walls

K. Garrity, F. Tavazza, Sugata Chowdhury, 2020, 2003.03439.

Capturing dynamical correlations using implicit neural representations

Sathya R. Chitturi, S. Hayden, D. Ratner, 2023, Nature communications.

Density Functional Theory Study of the Structure and Energetics of Negatively Charged Oligopyrroles

Estela Blaisten-Barojas, Yafei Dai, Sugata Chowdhury, 2011 .

Magnetic skyrmions in atomic thin CrI3 monolayer

Suprem R. Das, Sugata Chowdhury, Aroop K. Behera, 2019, Applied Physics Letters.

Tunable spin polarization and electronic structure of bottom-up synthesized MoSi2N4 materials

A. Agarwal, C. Autieri, A. Bansil, 2021, Physical Review B.

The recognition of a new pathway for the reaction of molecular oxygen with a Pd(II)-hydride to produce a Pd(II)-hydroperoxide

N. Russo, I. Rivalta, E. Sicilia, 2008 .

On Ultrafast X-ray Methods for Magnetism

Sathya R. Chitturi, Tadesse A. Assefa, J. Turner, 2023, 2305.07787.

Machine learning enabled experimental design and parameter estimation for ultrafast spin dynamics

Sathya R. Chitturi, Chun Hong Yoon, J. Turner, 2023, ArXiv.

Strain-controlled magnetic and optical properties of monolayer 2H−TaSe2

T. Einstein, J. Simpson, A. Walker, 2018, Physical Review Materials.

Phonon origin and lattice evolution in charge density wave states.

J. Simpson, D. Newell, F. Tavazza, 2019, Physical review. B.

Spin transport in carbon nanotube magnetic tunnel junctions: A first principle study

K. Shah, Sugata Chowdhury, P. Misra, 2020 .

Mechanistic investigation of the hydrogenation of O(2) by a transfer hydrogenation catalyst.

N. Russo, F. Himo, E. Sicilia, 2010, Journal of the American Chemical Society.