Postdoctoral Fellow - Atomistic Simulations and AI for Materials Design - #Faculty

The AtomGPTLab, led by Dr. Kamal Choudhary at Johns Hopkins University, invites applications for a Postdoctoral Fellow position in the fields of atomistic simulations, machine-learned force fields, and artificial intelligence (AI). The successful candidate will lead the development of a computational platform that unifies first-principles methods, classical molecular simulations, and cutting-edge AI techniques including graph neural networks (GNNs) and large language models (LLMs) to accelerate experimental design and discovery of novel materials.

The research spans quantum mechanics, statistical physics, and deep learning, and aims to enable AI-guided predictions of synthesizable and functional materials such as superconductors, catalysts, semiconductors, and energy-relevant compounds. The position is embedded in an interdisciplinary and collaborative environment with active interactions across experimental groups and national laboratories.


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