^\/N Cu/ttcr/nu\/\ S/O Dr. A.

Chattopadhyay
5
th
Year Undergraduate Student Qtr. 4/11-C, CPT Qtrs., Haldia
Dept. of Chemistry Phone No. : +91 94745 98822
Indian Institute of Technology E-Mail : ayankgpchatterjee@gmail.com
Kharagpur 721302, West Bengal, lNni/ http://www.ayanchattopadhyay.weebly.com
^nr/s cr lNtrnrst
Electronic Structure Theory Using Ab initio and Semi-empirical Quantum Chemistry Methods
Quantum Dynamics
Quantum Information Theory and Quantum Computing
Monte Carlo & Molecular Dynamics Simulation methods
Lntc/ticN
Graduation
Integrated Bachelors (Hons.) and Masters in Chemistry Autumn 2009 - Present
Indian Institute of Technology, Kharagpur Overall CGPA : 8.72/10.00
Department Rank : 2
nd
Departmental CGPA: 8.89/10.00
Senior Secondary School
Higher Secondary Examination June 2008
St. Xaviers Higher Secondary School, Haldia (State Board, WB) Percentage of Marks : 89.00%
High School
Secondary Examination June 2006
St. Xaviers High School, Haldia (State Board, WB) Percentage of Marks : 93.88%
Prsr/ncu Pnc(rcts 6 lNtrnNsuirs
Studies on the Density Dynamics of some quantum systems (August 2013 - Present)
Guide: Prof. Pratim Kumar Chattaraj, Dept. of Chemistry, IIT Kharagpur, INDIA.
Part of Masters Dissertation at IIT Kharagpur.
Studying the quantum domain behaviour of the classical double-well oscillator and the harmonic oscillator using
Bohmian Quantum Mechanics.
Coupled-Cluster calculation of Vibrational Raman Optical Activity in Hydrogen Peroxide (May 2013 - July 2013)
Guide: Prof. T. Daniel Crawford, Dept. of Chemistry, Virginia Tech, USA.
Obtained the Raman Optical Activity spectra for H
2
O
2
in the gas phase using the Coupled-Cluster Response
Theory.
The code was implemented using C++ and Python along with the PSI4 computational package.
Path Integral based Statistical Mechanical studies of adiabatic and non-adiabatic systems (May 2012 - July 2012)
Guide: Prof. Marcel Nooijen, Dept. of Chemistry, University of Waterloo, CANADA.
Studied vibronic coupling theory and calculated the spectra for 2x2 models using the Discrete Variable Repre-
sentation(DVR) technique.
The Path Integral Monte Carlo method was implemented to model both adiabatic and non-adiabatic systems
composed of 2 normal modes and 2 electronic states.
Study of Hydrogen Storage in Clathrate Compounds (November 2011 - February 2011)
Guide: Prof. Pratim Kumar Chattaraj, Dept. of Chemistry, IIT Kharagpur, INDIA.
Studied the hydrogen storage potential for 5-clathrates using the Grand Canonical Monte Carlo Scheme.
A Grand Canonical Monte Carlo Study of the adsorption of simple gases on to solids (December 2011)
Guide: Prof. S. Balasubramanian, CPMU,JNCASR Bangalore, INDIA.
Obtained the equation of state for the adsorption of argon and nitrogen on to graphite.
The GCMC code was implemented in C.
The code was extended to study charged interactions using the Ewald Summation algorithm.
Studies on Diabetic Retinopathy using Retinal Pattern Analysis (May 2010 - July 2010)
Guide: Dr. Srikanth Prabhu, SMST,IIT Kharagpur, INDIA.
Studied the retinal patterns obtained from various medical research facilities using Image Processing tools in
MATLAB.
Formulated the extent of diabetic retinopathy in the patients.
Sucnt 1rnv Pnc(rcts
Guide: Prof. Sanjoy Bandopadhyay (Autumn 2012)
Developed a complete set of Molecular Dynamics Codes.
Guide: Prof. T. Daniel Crawford (Summer 2013)
Molecular Geometry Analysis.
Harmonic Vibrational Analysis.
Implementing the Hartree-Fock SCF procedure and extending it as a plugin to the PSI4 Computational Package.
Calculating the Second-Order Moller-Plesset Perturbation Theory.
Calculating the Coupled-Cluster Singles and Doubles Energy.
Calculating a perturbative Triples Correction to the CCSD.
Implementing the DIIS Extrapolation of the SCF Procedure.
CcNrrnrNcrs ^ttrNnrn
Attended the 3
rd
National Science Conclave at IIIT Allahabad.
Attended the Diamond Jubilee Symposium on Recent Trends in Chemistry at IIT Kharagpur.
Attended the ACS on Campus event at IIT Kharagpur.
1rcuNic/t Skitts
Computational Methodologies : MD, MC, HF-SCF, Path Integral , Coupled Cluster, Perturbation Theory, DIIS, DVR
Computational Package : PSI4
Operating Systems : Unix (Linux), Microsoft Windows
Programming Languages : C/C++, FORTRAN, PYTHON, JAVA
Softwares Packages : MATLAB, L
A
T
E
X
Prtrv/Nt Cctnsrs
Mathematics: Mathematics I & II, Numerical Solutions to ODE & PDE, Real Analysis, Discrete Mathematics.
Theoretical Chemistry: Quantum Mechanics, Group Theory, Statistical Thermodynamics and Kinetics, Computational
Chemistry (+Lab), Molecular Spectroscopy & Molecular Structure, Advanced Quantum Chemistry.
Others: Quantum Mechanics and Quantum Computation (Prof. Umesh Vazirani, UC Berkeley, Online Course on
www.edx.org)
^w/nns ^Nn ^cuirvrvrNts
Recipient of the INSPIRE scholarship awarded by the Department of Science & Technology, India.
Ranked among top 1.5% of the students in IITJEE 2009, the National Level Entrance Examination in India.
Selected for the MITACS Globalink 2013 Scholarship at University of Calgary, CANADA.
Selected for the JNCASR 2011 Summer Fellowship.
Selected for the IAS 2011 Summer Fellowship.
Ranked among top 35 students in the 10
th
and 12
th
Board Examinations.
Ranked among top 1% students in the 4
th
,7
th
and 9
th
National Science Olympiads.
Recipient Gold Merit for distinctive performance in the 4
th
National Cyber Olympiad.
Lxtn/-^c/nrvic ^cuirvrvrNts
Member of National Cadet Corps (NCC) in my freshman year.
Member of National Service Scheme (NSS) in my sophomore year.
I hereby declare that the information given above is correct to the best of my knowledge.
Ayan Chattopadhyay