Computational Materials Discovery Intern
4 days ago
Position SummaryAs a Computational Materials Discovery Intern, you will work at the intersection of materials science, computational physics, quantum chemistry, quantum computing, and AI/ML. You will contribute to simulation workflows, property prediction pipelines, materials dataset generation, and hybrid quantum–classical algorithms for accelerated materials design—integrated with QpiAI’s quantum computing systems and AI platforms. This role is ideal for candidates who want to work on real scientific problems involving electronic structure modeling, materials screening, generative AI for materials, and quantum-accelerated materials simulation.Key Responsibilities1. Materials Simulation & Electronic Structure ModelingPerform classical materials simulations using:DFT (plane-wave & localized basis set methods)Pseudopotentials, k-point sampling, band structure and DOS calculationsPhonon calculations, elastic constants, mechanical/thermal property predictionMolecular dynamics (MD) and Monte Carlo samplingExecute materials workflows for:Crystal optimizationDefect formation energiesAdsorption energiesReaction pathways (NEB)Phase stability diagramsSurface modeling (slabs)Catalyst descriptors (d-band center, charge
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Computational Materials Discovery Intern
3 days ago
Bengaluru, India QpiAI Full timePosition SummaryAs a Computational Materials Discovery Intern, you will work at the intersection of materials science, computational physics, quantum chemistry, quantum computing, and AI/ML. You will contribute to simulation workflows, property prediction pipelines, materials dataset generation, and hybrid quantum–classical algorithms for accelerated...
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Computational Materials Discovery Intern
3 days ago
Bengaluru, India QpiAI Full timePosition Summary As a Computational Materials Discovery Intern, you will work at the intersection of materials science, computational physics, quantum chemistry, quantum computing, and AI/ML. You will contribute to simulation workflows, property prediction pipelines, materials dataset generation, and hybrid quantum–classical algorithms for accelerated...
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Computational Materials Discovery Intern
3 days ago
Bengaluru, India QpiAI Full timePosition Summary As a Computational Materials Discovery Intern, you will work at the intersection of materials science, computational physics, quantum chemistry, quantum computing, and AI/ML. You will contribute to simulation workflows, property prediction pipelines, materials dataset generation, and hybrid quantum–classical algorithms for accelerated...
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Computational materials discovery intern
4 days ago
Bengaluru, India QpiAI Full timePosition SummaryAs a Computational Materials Discovery Intern, you will work at the intersection of materials science, computational physics, quantum chemistry, quantum computing, and AI/ML. You will contribute to simulation workflows, property prediction pipelines, materials dataset generation, and hybrid quantum–classical algorithms for accelerated...
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Computational Materials Discovery Intern
4 days ago
Bengaluru, India QpiAI Full timePosition SummaryAs a Computational Materials Discovery Intern, you will work at the intersection of materials science, computational physics, quantum chemistry, quantum computing, and AI/ML. You will contribute to simulation workflows, property prediction pipelines, materials dataset generation, and hybrid quantum–classical algorithms for accelerated...
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Computational Materials Discovery Intern
3 days ago
Bengaluru, India QpiAI Full timePosition SummaryAs a Computational Materials Discovery Intern, you will work at the intersection of materials science, computational physics, quantum chemistry, quantum computing, and AI/ML. You will contribute to simulation workflows, property prediction pipelines, materials dataset generation, and hybrid quantum–classical algorithms for accelerated...
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Computational materials discovery intern
3 days ago
Bengaluru, India QpiAI Full timePosition SummaryAs a Computational Materials Discovery Intern, you will work at the intersection of materials science, computational physics, quantum chemistry, quantum computing, and AI/ML. You will contribute to simulation workflows, property prediction pipelines, materials dataset generation, and hybrid quantum–classical algorithms for accelerated...
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Computational Materials Discovery Intern
3 days ago
Bengaluru, India QpiAI Full timePosition Summary As a Computational Materials Discovery Intern, you will work at the intersection of materials science, computational physics, quantum chemistry, quantum computing, and AI/ML. You will contribute to simulation workflows, property prediction pipelines, materials dataset generation, and hybrid quantum–classical algorithms for accelerated...
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Computational Materials Discovery Intern
3 days ago
Bengaluru, India QpiAI Full timePosition Summary As a Computational Materials Discovery Intern, you will work at the intersection of materials science, computational physics, quantum chemistry, quantum computing, and AI/ML. You will contribute to simulation workflows, property prediction pipelines, materials dataset generation, and hybrid quantum–classical algorithms for accelerated...
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Computational Materials Discovery Intern
4 days ago
Bengaluru, India QpiAI Full timePosition Summary As a Computational Materials Discovery Intern, you will work at the intersection of materials science, computational physics, quantum chemistry, quantum computing, and AI/ML. You will contribute to simulation workflows, property prediction pipelines, materials dataset generation, and hybrid quantum–classical algorithms for accelerated...
