Geet Gupta
Shell (Computational Chemistry and Materials Science) | Deep Learning | Molecular Modeling and Atomistic Simulations
- Role
- Shell Science - Pdf at Shell
- Location
- Bengaluru, IN
- LinkedIn followers
- 500 followers
About Geet Gupta
Leveraging advanced computational tools and quantum science approaches, including density functional theory (DFT) and ab-initio molecular dynamics (AIMD), to model materials and molecules- Proficient in employing high-performance computing (HPC) techniques, with an experience in utilizing python scripting to streamline and automate computational workflows for in-depth materials research- Experience in developing deep learning-based models of interatomic potential energy and force fields, enhancing the accuracy and efficiency of molecular dynamics (MD) simulations- Actively exploring the integration of data-driven approaches, such as machine learning and neural networks, in the realm of computational chemistry.Open to opportunities that offers development of machine learning algorithms and employ atomistic simulations and molecular modeling to the materials.Email - g•••••••@gmail.com
Experience
Shell Science - Pdf
Feb 2024 — Present · Bengaluru, IN
Education
Kapil Gyanpeetth School
Senior School Certificate Examination
2008 — 2009
Iowa State University
Doctor of Philosophy - PhD
2017 — 2022
Malaviya National Institute of Technology Jaipur
Bachelor of Technology (B.Tech.)
2010 — 2014
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