Rudra Banerjee

Academic Records

Research Interest

Electronic and Magnetic properties of systems without periodicity

For disordered systems, with absence of translational symmetry,we have to think beyond Bloch's ideas and the corresponding reciprocal k-space formalism. In my research, we shall apply a fully real-space based Green's function method. The disorder will be studied within the ``augmented space recursion"(ASR) in order to determine configuration averaged electronic and magnetic properties.

Realistic models for disordered alloys require us to go beyond the single-site mean-field approximations and treat effects of configuration fluctuations more accurately. This we shall attempt through the ASR code AMscf.

I am interested in studying magnetic alloys and spin glass system using the above framework.

Computational Skills

AMscf

This is a ASR-LMTO based scf code to calculate density of states of disordered materials. Based on the framework of older codes developed by my seniors in our group, I have developed it afresh to make it parallel, fully intrigate it with LMTO routine(Stuttgart TB-LMTO) and included some subtle functionality.

As of now, the code is for binary alloy. It can run for spin-dependent/independent case. Partial DOS is also calculated. This code is written in par with fortran 2003 standard.

Linux

Five years of experience in Linux operating system. Comfortable is Shell Scripting.

Programming

Four years of experience in numerical methods and simulation using fortran 90/95/2003. Use Shared memory parallelisation using OpenMP.

Basic working knowledge in Python and Octave.

Ab-initio codes

Used plane wave based (VASP, Quantum-espresso), Linearized Muffin-tin based (Sttutgart LMTO) and B3LYP based (Gaussian) packages in several projects.

Others

I have also done grid computing using GARUDA grid (maintained by C-DAC) and EGRID (maintained by I.C.T.P.). I have written a note on using grid, which is available Submitting Jobs on Gridhttp://www.arxiv.org/abs/physics/0701101

Conference/Workshop Attended

Magnetism in Material

Organiser:  AsiaSweeden Link Programme
Held at S.N.B.N.C.B.S., Kolkata
from 8^th to 10^th of January, 2007

High Performance Computing

Organiser: C-DAC(Pune), IACS(Kolkata)
Held at I.A.C.S, Kolkata
from 23 ^rd to 26 ^th of April, 2007

Workshop on Developing Applications for GARUDA (DAG 07)

Organised by C-DAC
Held at IIT, Mumbai
from 28 ^th to 30 ^th of June, 2007

Workshop and Conference on Electronic Structure Theory : Methods and Applications

Organised by SNBNCBS, IACS (Kolkata) and Uppsala University(Sweden)
from 14^th to 18 ^th January, 2008

Correlation09:New trandes in strongly correlated materials

Held at IACS and SNBNCBS, Kolkata
from 4 ^th to 6 ^th March, 2009

Research Experience

2006-2007

Project Assistant, Prof. D. G. Kanhere, University of Pune

2007-2009

JRF, SNBNCBS

September, 2009 - February, 2010

Visiting research scholar at Division of Materials Theory, Uppsala University.

May,2010-

JRF, SNBNCBS

April,2011 - June,2011

Visiting research scholar at Division of Materials Theory, Uppsala University.

Scholarships

1. I am a recipient of Swedish Institute scholarships for 1 ^st September, 2009 to 28^th February, 2010. This includes working in the Uppsala University, Sweden for the time period.