Bhavuk Rohilla Email & Phone Number

Tsukuba, Ibaraki, Japan

Tokyo, Japan

Cambridge, Massachusetts, United States

Gurugram, Haryana, India

During my internship at Maruti Suzuki's water treatment plant, I received practical experience managing and enhancing the water treatment procedures required for automobile manufacture. I was actively involved in monitoring water quality, assessing treatment efficiency, and assuring compliance with environmental regulations. My responsibilities included conducting water quality testing, maintaining treatment equipment, and assisting with the creation of long-term water usage strategies. I collaborated with the engineering team to implement solutions that reduced water use and enhanced wastewater treatment.

Delhi, India

Working at Li-ion Battery Technology Lab under the supervision of Dr. Amrish K. Panwar.Learning Various Synthesis and Fabrication techniques (solid-state reaction, sol-gel process, precipitation method, hydrothermal reaction, electrospinning). Carryout Computational approach for the estimation of the characteristics of lithium-ion batteries for a 2D electrochemical model of lithium-ion battery using COMSOL software and Quantum Espresso.

Tsukuba, Ibaraki, Japan

Engaging in data-driven exploration of functional materials such as semiconductors or ionic conductors.

Hamilton, Ontario, Canada

Hamilton, Ontario, Canada

1. Compute a dataset of molecules using quantum chemistry software.2. Compute charges for those molecules via post-processing methods and machine learning techniques.3. Compare reliability of multipole moments. 4. Compare the reliability of different approaches for response properties.

Ontario, Canada

Predicting electrostatics/multipole moments with various charge models.To build/extend a database of molecular systems, then test existing models against it to see how well they will do.Test ML models and working on computational chemistry calculations for each molecule in the database.􏰀Implementing models in ChemTools and other packages in the QC-Devs ecosystem.

Stuttgart, Baden-Württemberg, Germany

As a DAAD Wise Intern at the University of Stuttgart, I am thrilled to be part of an exciting project focused on benchmarking reaction energies. One of the intriguing possibilities for my project involves utilizing the Molpro linear-scaling coupled-cluster code, which was actually developed right here at the University of Stuttgart. It's an incredible opportunity to work with such advanced technology and contribute to its further development.My main objective is to analyze and benchmark the reaction energies of a specific set of systems that hold great significance for our colleagues in the field of Materials Science. By leveraging the powerful capabilities of the Molpro code and employing advanced computational techniques, I aim to provide accurate assessments of these reaction energies.

New Delhi Area, India

- 1st ever society to provide an opportunity to actually conduct theoretical research in physics.- Efficaciously hosted events during Techfest and paper presentation seminar, spread across 3 days under the aegis of Technical fest DTU with a footfall of 500+ - 1st society to organize more than five astronomical workshops, 1 industrial trip and 1st one to organize the special interest groups of students for learning higher-level physics which was attended by around 800+ students and attended by 12+ guests.

Delhi, India

Title of research: Crystal structure prediction using ab-initio evolutionary techniques, with a focus on predicting the structure and stability of novel metallic nanostructures.Worked with USPEX and Quantum Espresso (for electronic-structure calculations and nanoscale materials modeling) codes to predict stable and generate low-energy meta-stable structures for gold monolayer.Used first-principles calculations based on density functional theory (DFT), to prob various possible stacking arrangements of bilayer gold systems.

Dubna, Moscow, Russia

Neutron and X-ray scattering experiments at large scale facilities and laboratories.Learning about Neutron instrumentation, data treatment and softwares(FullProf and SASView) in neutron scattering experiments.

Dubna, Moscow, Russia

Working as a Research Intern under the guidance of Prof Kholmirzo Kholmurodov on project "MD-SIMULATION RESEARCH (FROM ATOMIC FRAGMENTS TO MOLECULAR COMPOUND)"The study of the “MOLECULAR DYNAMICS RESEARCH” course is to result in:- Simulation and design of physical and biochemical nanostructures, systems and compound; - Computer molecular design of new structures with given (by experiment) parameters and conditions.

Master Of Science - Ms, Materials Science And Engineering

Bachelor Of Technology - Btech, Chemical Engineering, 9/10

High School

Theoretical Chemistry

Visiting Student

Master Of Science - Ms, Materials Science And Engineering