Our Faculty

• Applied Theoretical and Computational Chemistry Research Group (ATCRG) 
  As of now this research group focus majorly on two domains:
• Domain I: Theoretical and computational Design of Special Effect Materials 
  The present focus is on materials exhibiting properties such as NIR reflection,Piezochromism, Sorptiochromism, Thermochromism, and superhydrophobicity
• Domain II:  Audio and Visual Neuroaesthatics 
  The present focus is to develop fundamental theories on the effect of music and visuals (particularly, artistic) on evolution of emotions in human mind

PG Students:
Domain I: Theoretical/Computational Design of materials
Completed:

1. Semi-empirical investigations to compute the trends of variation in near-infrared reflectance as a function of doping stoichiometry in mixed-metal oxides. Investigator : Swaroop C
2. Theoretical investigations on near-infrared reflectance behaviour of neodymium-doped Yttriummolybdate. Investigator:  Sarthak M
3. Computational investigations for the design of thermochromic materials. Investigator : Sreelakshmi K
4. Computational investigations for the design of sorptiochromic        Investigator : SIdharth E K
5. Computational investigations for the design of piezochromic materialsInvestigator : ThulasiShaji
6. Computational investigations for optimizing ABS factor expression to illustrate NIR reflectance pattern as a function of doping stoichiometry in mixed metal oxide pigments Investigator:  Krishna Dev
7. Semi-empirical investigations to develop an expression for filtration capability indices of polymer membranes Investigator: Sreya M

Ongoing:

1. Computational Investigations on plasmon based interactions for sorptiochromism. Investigator: Nanda. S

Domain II: Neuroaesthatics – Theory and Practice

Completed:

1. Relating the emotions induced by musical patterns (indiancarnatic) with the release of dopamine – A theoretical analysis. Investigator: Mahesh V K
2. Theoretical investigations to correlate and connect the extent of dopamine release with visual perception as a function of symmetry: A neuro-aesthetic perspective. Investigator: Devi M S

1. December 2019, Scicon19, Post conference workshop on DFT, Amrita VishwaVidyapeetham, Amritanagar Campus
2. 09/11/2017, Department of Chemistry, Govt. College, Kattappana, Kerala,  Title of talk: “Exploring Chemistry through Computations”