The Catholic University of America

     

      Lecturer

      316 Pengborn Hall,

      The Catholic University of America,

      620 Michigan Ave NE, Washington, DC 20064

      email:- chowdhury@cua.edu

     Group Description: Computational Materials Science Group

     Website:

 

Education

  • Ph.D. in Theoretical and Computational Chemistry, Universita della Calabria, Cosenza, Calabria, Italy, 2009.

 

Research Interest

  • 2D-Materials
  • Single Wall Carbon Nanotubes
  • Topological Insulators
  • Catalysis
  • Fuel Cell

 

Teaching

  • MSE 562 Corrosion Engineering
  • MSE 571 Artificial Organ Engineering
  • MSE 591 Composite Materials

 

Professional Memberships 

  • American Chemical Society
  • Materials Research Engineering  
  • American Physical Society

 

Selected Publications

  • Theoretical investigation of the evolution 1 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). 
  • Density functional theory study of the structure and energetics of negatively charged pyrrole oligomers. Yafei Dai, Sugata Chowdhury, Estela Blaisten-Barojas. Int. J. Quantum Chem. 111, 2295 (2011). 
  • 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). 
  • 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). 
  • The recognition of a new pathway for the reaction of molecular oxygen with a Pd(II)-hydride to produce a Pd(II)-hydroperoxide. Sugata Chowdhury, Ivan Rivalta, Nino Russo, Emilia Sicilia, Chem. Phys. Lett, 456, 41 (2008). 
  • 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).

 

Selected Speaking Engagements

  • “Computational Studies of Dioxygen Activation by some Transition Metal Complexes (Pd &Ir) for Homogeneous catalyzed reaction Complexes and Bi2Se3 under the Mechanical Stress” Sugata Chowdhury, NIST, Gaithersburg, MD, USA 2012.
  • A talk entitled “New Insight Insertion of Molecular Oxygen into Pd(II)-H Bonds to Form Pd(II)-OOH” Sugata Chowdhury delivered in Indian Association for the Cultivation of Science, Jadavpur, India, 2008.
  • A talk entitled “New Insight on the Mechanism of Molecular Oxygen Insertion Reaction into PD(II)-Hydride Bond”, Sugata Chowdhury, Ivan Rivalta, Nino Russo, Emilia Sicilia delivered in Convegno SCI Congiunto delle Sezioni Calabria e Sicilia, Messina, December, 2007.
  •  Invited talk entitled “Insertion of Molecular Oxygen into Pd(II)-H Bonds to Form Pd(II)-OOH” Sugata Chowdhury, delivered in 1st International Symposium on Molecular Oxygen in Catalysis, Institute of Physical Chemistry, University of Stuttgart, Germany, October, 2007.