lammps , Machine Learning, C, Shell Scripting, Cloud Computing, Python, high performance computing, Molecular Dynamics, materials science, Mesoscale Simulations, GROMACS, computational chemistry, Quantum Espresso, Molecular Simulation Methods

Data structures, Python, Concurrency, linear algebra, Indexing algorithms, Tensor math, Vector embedding methods, Caching mechanisms, Sharding, Segmentation, Parallelism, Data augmentation, Query design

Pytorch, Python, Tensorflow, Pandas, Cnn, Git, Matplotlib, scikit-learn, BERT