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Friday, May 14, 2021

Centre for High Performance Computing

Honorary Director: Dr. C. Sudarshana Kumar, Professor, School of Pure and Applied Physics,Mahatma Gandhi University,Mob: 9447141561.

University Campus, Priyadarshini Hills P O, Kottayam

Established on : 11.08.2010
Phone : 0481-2731028
Email :


  • To provide High Performance Computing facilities for Research Scholars and Faculty in the Science Departments
  • To provide expensive software that is commonly used by Researchers in Science
  • To develop the Centre and the Discipline of High Performance Computing by providing Adjunct faculty positions to faculty in Physics, Chemistry, Biology and Computer Science
  • To provide access to high performance computers such as GARUDA through National Knowledge Network after obtaining consent of the owners of such services.
  • Access to Global Research & Development (R&D) Networks such as GLORIAD (Indo-US initiative) and TIEN 3 (Indo-European initiative) through National Knowledge Network.
  • To start M. Phil, M. Tech level courses in High Performance Computing

Existing Facilities

  • BEOWULF Cluster comprising of 10 dual processor servers (20 processors) that uses MPICH library for distributed computing
  • BEOWULF Cluster comprising of 39 dual processor P.C.’s (78 processors) that uses MPICH library for distributed computing
  • BEOWULF Cluster comprising of 2 numbers servers with 4 number 10 core processors and one server with an 8 core processor.(Total of 88 cores using MPICH library in programming)
  • one GPU server with 512 available cores using CUDA

Research Interests: Mathematical and Computational Chemistry, Self avoiding walks, Enumerative Combinatorics


  • Padmanabhan A S Random Walks Strictly Confined to a Sub-space Statistics and Probability Letters 53 (2) 299-303 (2001)
  • Padmanabhan A S Restricted Random Walk Numbers of the First and Second Kind Journal of Theoretical and Computational Chemistry 3 (No. 2) 155-162 (2004)
  • A S Padmanabhan and Susamma Jacob Self avoiding walk trees and laces journal of Mathematical Chemistry Volume 52,Issue 2 (2014) pp 627-645 DO110.1007/210910-013-0283-z
  • Padmanabhan A S Box and Housdorff Dimension of Self Avoiding Walks Proceedings of the Fifth Indo-US Science and Technology Forum Sponsored Lecture Series (Invited) on Discrete Mathematical Chemistry,Bangalore Jan 8 – 11, 2007
  • A S Padmanabhan Growing Self avoiding walk trees.Journal of Mathematical Chemistry.Jan 2014 Vol.52,Issue 1 pp 355-367.DO110.1007/210910-013-0267-z

Research Interests:-

Computational Methods are widely used for exploring the structural features of Biological macromolecules and monitoring their interactions with other molecules. This is also used for the binding affinity of drugs to Nucleic Acids and proteins Crystallographic computing. Molecular Dynamics simulations of Nucleic acids and Modified Nucleic Acids. Calculating the binding affinity of Curcumin and its derivatives in the minor groove of AT-rich DNA sequences.


  • Joseph Nirmala, N.V.Unnikrishnan, E.R.Anabha and C.Sudarsanakumar Structure of 2-[2-Benzoyl-3,3-bis(methylsulfanyl)prop-2-enylidene] malononitrile. Acta Crystallographica. E65 (2009) o1727.
  • M.K.Varghese, N.V.Unnikrishnan and C.Sudarsanakumar .Molecular dynamics simulations and binding free energy analysis of DNA minor groove complexes of curcumin. Journal of Molecular Modeling (2011) Vol 17. 2805-2816
  • Synthesis and Crystal Structure of 1,7-Bis(4-methoxyphenyl)-4-(1,3-dithiolan-2-ylidene)- 1,6-heptadiene-3,5-dione. S.G.Bubbly, S.B.gudennavar, D.Viswam and C.Sudarsanakumar J. Chem Crystallogr. (2010) DOI 10.1007/s 10870-010-9859-7
  • M.K.Varghese,Renjith Thomas, N.V.Unnikrishnan and C.Sudarsanakumar. Molecular dynamics simulations of xDNA.Bio polymers(2008) Volume 91/Number 5,pp.351-360
Technical Staff :
  • Sri. Geevarghese Kurian J, Assistant Programmer
Activities: –
  • Research in Scientific Applications of Computing
  • Computer Training Programme in LINUX for University Employees
  • Providing assistance to M.Tech students of the University
Extension Activities: –
  • Extend Computer Training to all faculties and staff of the University especially in Linux – Ubuntu.
  • Software development for University Administration / Examination