Research Team
Senior Researchers
Assistant Researcher — MC-PDFT
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Assistant Researcher — ML algorithms, XPaiNN, REST workshops
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Postdoctoral Fellow — GPU algorithms, REST optimization
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Postdoctoral Fellow — XO-REST for complex biosystems
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PhD & Master Students
PhD Student — Enhanced sampling, XPaiNN ML potentials
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Master Student — ISDF-based low-scaling HF/xDH in REST
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PhD Student — XO-PBC embedding for complex systems
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PhD Student — RO-xDH in REST
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PhD Student — Computational intelligence agents for complex systems
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PhD Student — RRS-PBC, ML Hamiltonian for periodic systems
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PhD Student — Pseudopotential & PCM in REST
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Master Student — Relativistic methods (SOC, X2C) in REST
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PhD Student — vdW-corrected DFAs
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PhD Student — xDH + QM/MM for spectroscopic simulation
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PhD Student — ML density functionals (DFT-Net)
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PhD Student — GW/BSE for quantum computer design
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Alumni
Previous team members who have moved on to new positions.