Rajendra Zope

Phone: (915) 747-8742
Fax: (915) 747-5447
E-mail:
rzope@utep.edu

Office: Room 116A in Physical Science Building 210

Mailing address:

 Department of Physics
University of Texas at El Paso
500 W. University Avenue
El Paso, TX 79968, USA
500 University , MSN 5C3

Professional Background:

PhD in Physics, University of Pune

Postdoc:   Atomic Energy Center (CEA), Grenoble; US Naval Research Laboratory, Washington, DC.

Research Interests

My research goals are towards understandings the properties of molecules, nanocrystals and materials using quantum chemical simulations. One of our major goals is it to improve the scalability of the UTEP-NRLMOL electronic structure code used and further developed in our laboratory. Another ongoing project is the development of Fermi-Lowdin Orbial Self Interaction Corrected density functional code.

Publications

Useful Links


Publication List

Proceedings/Book Chapters/Preprints:

  1. Fully Analytic Implementation of Density Functional Theory for Efficient Calculations on Large Molecules
  2. Rajendra R. Zope and B. I. Dunlap,
    Chapter 9 inMultiscale Simulation Methods for Nanomaterials,  John Wiley & Sons, Inc. (2008).

  3. Equilibrium structure and vibrational spectra of sila-adamantane
  4. R. R. Zope, T. Baruah, M. R. Pederson and S. L. Richardson
    arXiv:1005.5381v1

  5. Geometry and electronic structure of neutral and charge B21 cluster
  6. Ruben Casillas, Tunna Baruah, and Rajendra R. Zope (Submitted to Chem. Phys. Lett- October 2011).

  7. Electronic Structure and stability of As@Ni12 @As20 and As cages
  8. T. Baruah, R. R. Zope, S. L. Richardson and M. R. Pederson,
    Proceedings of International Symposium of Clusters and Nano-Assemblies (2005).