[Openchemistry-developers] Gsoc 2018.

Pratik Ranjan pratikranjaniitg101 at gmail.com
Mon Feb 19 14:27:02 EST 2018


Hello everyone,
This is Pratik Ranjan, a third year student of IIT Guwahati. I am pursuing
B.Tech degree in Chemical Science and Technology which is based on
technical chemistry. During my semesters I have gone through the key
courses which involved Mathematics, Computer science and Chemistry.
Mathematics involved courses like advance calculus and vector algebra. I
did courses on Algorithm and Data structure in C.
In chemistry I have gone through the courses like Quantum chemistry,
Chemical kinetics, Spectrometry, Computational chemistry and Computational
physics.
In computational chemistry I did various programming assignments in
FORTRAN(95). The assignments were based on finding solutions of Schrodinger
equations, Hamiltonian operator, different energy level of the molecules,
did Molecular modeling – Determination of properties of molecules, charge
distribution, viewing the orbitals and vibrational spectra and also did
Fourier analysis. All these calculations involved complex matrix
calculations, like finding eigenvectors and eigenvalues of a matrix,
inversion of matrix etc.I used LAPACK for finding eigenvectors and
eigenvalues This course also involved calculation of kinetics of Ozone. In
computational Physics I did assignments in C++ which were based on
numerical analysis. In this course I learned numerical methods to solve
Differential equations, solving linear equations, Diagonalizing a N*N
dimensional matrix and finding eigenvalues and eigenvectors by using
similarity transformation. With the motivation from the above courses once
I tried to make an android app which can solve some Matrix calculations but
unfortunately I didn't succeeded due to lack of mentorship , but from there
I got some information about Machine learning that is if we involve machine
learnig in the app then it can read the question from image and give
solution to the problem, It may be impractical. But due to motivation from
the idea, now in present semester I am also doing Machine Learning course.
since, this project is related to my field of interest and my majoring so I
want to work in this project which will give me real experience of my
knowledge, but I am beginner to the open source and Openchemistry project
so if I get some  help from the mentors,seniors and friends then it will be
very helpful for me.
Thank you.
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