Profile
Education
Ph. D.
Institute of Fundamental Sciences, Massey University, New Zealand. Submitted Nov 2009 and Defended Aug - 2010
Under Prof. Bill Williams, IFS, Massey University, New Zealand.
M.Sc - Physical Chemistry
School of Chemical Sciences, Mahathma Gandhi University, Kerala, India. Dec - 2004
B.Sc - Chemistry
Sir Syed College, Kannur University, Kerala, India. May - 2002
Post Doctoral Fellowship
Research Associate ( Dec - 2009 -- May - 2013 )
Lehrstuhl fuer Theoretische Chemie, Ruhr-Universitaet Bochum, Germany.
Research associate with Professor Dr. Dominik Marx. Work was mainly focused on calculating and simulating the mechanochemistry of ring opening reactions and mechanochemical bond breaking mechanisms of protein disulfides. Expertize in QM/MM, Metadynamics and Advanced sampling techniques.
Professional Experiences
1) Associate Professor, Department of Chemistry ( 5th June 2023 Onwards )
IIT Palakkad, Kerala, India.
Handling Theory Classes and Laboratory sessions for UG and PG (Chemistry) Students.
2) Assistant Professor, Department of Chemistry ( 5th July 2016 Onwards )
IIT Palakkad, Kerala, India.
Handling Theory Classes and Laboratory sessions for UG and PG (Chemistry) Students.
3) DST-SERB Young Scientiest & Principle Investigator (17th May 2016 - 30th June 2016 )
Department of Chemistry,
NIT Karnataka, Karnataka, India.
4) Assistant Professor (Adhoc), Department of Chemistry ( 17th July 2014 – 16th May 2016 )
NIT Karnataka, Karnataka, India.
Handling Theory Classes and Laboratory sessions for UG Students.
5) Assistant Professor (Adhoc), Department of Chemistry ( 31st Jan 2014 – 19th May 2014 )
NIT Calicut, Kerala, India.
Handling Theory Classes and Laboratory sessions for PG and UG Students.
6) Undergraduate Lab Demonstrator ( Feb 2008 - July 2009 )
IFS, Massey University, Palmerston North, New Zealand.
Lab Demonstrator for Undergraduate Physics course demonstrating basic first year undergraduate physics experiments.
7) Guest Lecturer ( July 2005 - May 2006 )
School of Chemical Sciences, Kannur University, Kerala, India.
Awards, Grants and Recognition
6) Seed Grant Project of Prof. Haridas V, IIT Palakkad, June 2024: Co-Principle Investigator for the project titled “Rational Design of Molecular Sensors for Anions (2024-242-CHY-HAV-SGP-SP)” has been approved by IIT Palakkad for funding over a period of 18 months. The approved amount worth 24,40,000 INR.
5) Exploratory Research Grant, IIT Palakkad, June 2024: Principle Investigator for the project titled “Exploring Serum Protein Interactions with Coinage Metal Nanocluster (MNCs) of specific Geometries“ A Computational Approach (2024-238-CHY-PAA-ERG-SP)” has been approved by IIT Palakkad for funding over a period of 18 months. The approved amount worth 22,06,000 INR.
4) DST SERB Core Research Grant (CRG), Jan 2023:
Principle Investigator for the project titled “Relevance of Protein Secondary Structure in Polypeptide-Enzyme Interactions for Regulating the Enzymatic Function – A Combined Theoretical and Experimental Approach (CRG/2022/007366)” has been approved by Science and Engineering Research Board (SERB) for funding over a period of three years. The approved amount worth 34,83,832 INR.
3) DST-SERB Young Scientiest Fellowship, Nov 2015:
Principle investigator for the project titled "On The Role of Proton Transfer in Triggering Disulfide Bond Reductions in Biological Systems – A Computational Approach (project reference no. YSS/2015/001956)" has been approved by Science and Engineering Research Board (SERB) for funding over a period of three years.
2) Travel Grant, Feb 2009:
Travel Grant from Institute of Fundamental Sciences, Massey University, for attanding Winter School-2009 organised by Institute for Advanced Simulation (IAS), Juelich Supercomputing Centre (JSC), Germany.
1) Ph.D Studentship, Aug 2006 - Aug 2009:
Postgraduate Studentship funded by The Marsden Grant for Prof: Bill Williams, Royal Society of New Zealand, under the supervision of Dr. Bill Williams, Massey University for a period of 3 years.
Computer Skills
High Performance Computing: Got considerable experience in handling HPC's
Libraries and Tools: Mathematica, Matlab, LaTex.
Computational Chemistry / MD software: CPMD, Turbomole, Gaussian, Gamess, Gromacs, Plumed, NAMD/VMD.
Programming Languages: Fortran, C. python
Operating Systems: Linux, Windows.
theochem@iitpkd