Graduate Research Assistant
Allentown, Pennsylvania Area
1. Project “Concurrent Design of Quasi-Random Nanostructured Material Systems (NMS) and Nanofabrication Processes using Spectral Density Function” funded by National Science Foundation (NSF). 2. Coarse-grained molecular dynamics simulation of photoactive bulk heterojunction layers in organic solar cell3. Molecular dynamics simulation to investigate thermal properties of Gallium Oxide used in power electronics applications◦4. First principle calculations (DFT, AIMD) of oxides and glass structures used in solar cells5. Machine learning and deep learning (RNN and LSTM based neural net) to develop organic materials screening frameworkfor photovoltaics application◦Bayesian optimization to optimize efficiency and mechanical property of bulk heterojunctions organic solar cell6. Performing atomistic calculations using CGMD model in Gromacs 2018 on high performance computation (HPC) clusters. 8. Performing classical molecular dynamics using Lammps package for thermal property calculations of oxide materials. 9. Extensively using different languages such as FORTRAN, Python, C++ and Matlab for post processing atomistic trajectories. 10. Using Python, Pandas, Apache PySpark, Scikit-learn, Keras and TensorFlow for neural network, machine learning and data driven study