Hi, I'm Rakshit Kumar Jain.
A
Self-driven, quick starter, passionate programmer with a curious mind who enjoys solving a complex and challenging real-world problems.
About
I am a 4th Year Ph.D. Candidate in the Chemical and Biomolecular Engineering department at North Carolina State University. I enjoy problem-solving and coding geared towards molecular simulations. My doctorate work focuses on developing a new computational technique to study peptoids. I have worked on a number of physical systems including but not limited to peptides, nanogels, microgels and grain technologies. I have keen interest in using Molecular Thermodynamics and Statistical Mechanics to study a variety of real-world problems. After my doctoral studies, I hope to work as a postdoctoral scholar ultimately leading to a life as an academic because I find great pleasure in teaching and interacting with students.
- Languages: C, C++, Python, Fortran, Bash, HTML/CSS, Javascript
- Simulation Techniques: Discontinuous Molecular Dynamics, Molecular Dynamics, Ab initio Simulations, Monte Carlo, Kinetic Monte Carlo, Density Functional Theory, Discrete Element Method
- Libraries: GSL, BOOST, TRNG, NumPy, SciPy, Pandas, OpenCV
Looking for an opportunity to work in a challenging position combining my skills in simulations and Molecular Engineering, which provides professional development, interesting experiences and personal growth.
Publications
Luis Perez-Mas, Alberto Martin-Molina, Rakshit Kumar Jain, Manuel Quesada-Perez, Journal of Molecular Liquids, Vol. 288, 2019, 111101
Experience
- Tools: C, Visual Molecular Dynamics (VMD)
EFFECT OF DISPERSIVE FORCES BETWEEN NANOGELS AND THE IONS OF THE HOFMEISTER SERIES
Supervisor: Dr. Alberto Martin-Molina
We studied poly-NIPAM, a polymer mesh important due to its specific thermalresponses. Electrostatic, hydrophilic and hydrophobic were the majorforces with the excluded volume interactions included using Lennard-Jones potential and dispersion forces. Parameters like ion distribution, the charge enclosed within the nanogel etc. were calculated with the view to perform a comparative study in the presence and absence of dispersion forces.
Research
![DMD for peptoids](/assets/img/peptoid_peptide.jpg)
Dr. Erik E. Santiso, Dr. Carol Hall (North Carolina State University)
![NTOID additions](/assets/img/npe_altered_cis.jpg)
Dr. Erik E. Santiso, Dr. Carol Hall (North Carolina State University)
![Model system](/assets/img/kmc_nanogel.jpg)
Dr. Prateek Jha (Indian Institute of Technology Roorkee)
![Sample erosion techniques](/assets/img/erosion_img.jpg)
Dr. Prateek Jha (Indian Institute of Technology Roorkee)
Here, modeled the behavior of carrier polymers and controlled release mechanisms under surface erosion due to a moving fluid, developing an improved model over the pre-existing ones and verifying the same with the help of dissolution experiments.
![Sample system](/assets/img/cfdem_img.png)
Dr. Anshu Anand (Indian Institute of Technology Roorkee)
Discrete Element Method (DEM) was used to model a fluidized bed to observe features under the effect of a gaseous medium from below. OpenFOAM was used to integrate fluid dynamics as LIGGGHTS can only simulate particle behavior.
![Pop pop boat drawing](/assets/img/popboat_img.jpg)
Dr. Gaurav Sharma (Indian Institute of Technology Roorkee)
A pop-pop boat moves when the boiler is filled with water, and then heated. There is no satisfactory model for the working of the boat and we aimed at finding a model to fit the experimental data using Bernoulli’s equation.
Teaching
![CHE 711](/assets/img/711book.jpg)
Fall 2019-2021 (Dr. Peter Fedkiw, North Carolina State University)
Assisted as a TA for the course.
![CHE 311](/assets/img/311book.jpg)
Spring 2019 (Dr. Erik Santiso, North Carolina State University)
Assisted as a TA for the course.
Skills
Languages
![](/assets/img/c_cpp.png)
![](/assets/img/python-logo-1-300x300.jpg)
![](/assets/img/shell-logo-1-300x300.jpg)
![](/assets/img/fortran.png)
![](/assets/img/html5-300x300.jpg)
![](/assets/img/css3-300x300.jpg)
Softwares
![](/assets/img/namd_logo.png)
![](/assets/img/gaussian_logo.jpg)
![](/assets/img/matlab_logo.jpg)
![](/assets/img/liggghts_logo.png)
![](/assets/img/ansys_fluent_logo.png)
![](/assets/img/latex_logo.png)
Simulation Techniques
![](/assets/img/dmd_img.jpg)
![](/assets/img/md_img.gif)
![](/assets/img/abinitio_img.png)
![](/assets/img/montecarlo_img.jpg)
![](/assets/img/dft_img.png)
![](/assets/img/dem_img.webp)
Education
North Carolina State University
Raleigh, NC, USA
Degree: Ph.D. in Chemical and Biomolecular Engineering
CGPA: 4.0/4.0
- Special Topics "Introduction to Molecular Simulations"
- Statistical Physics
- Multiscale Modeling of Matter
- Chemical Engineering Process Modeling
Relevant Courseworks:
Indian Institute of Technology Roorkee
Roorkee, India
Degree: Bachelor of Technology in Chemical Engineering
CGPA: 3.56/4
- Engineering Analysis and Process Modeling
- Computer Programming and Numerical Methods
- Computational Fluid Dynamics
- Transport Phenomena
- Thermodynamics and Chemical Kinetics
Relevant Courseworks: