Bhawna Sahni
Postdoctoral Research Fellow | Computational Materials Scientist
Hi! I am a computational materials scientist with 8+ years of experience in DFT/DFPT, electronic and thermal transport, and materials discovery.
At Rensselaer Polytechnic Institute, current research includes screening dielectrics for advanced node technologies (in collaboration with R&D industry partners), developing AIMD/MLIP workflows for amorphous thermal transport, and topology-analysis workflows for an ARPA-E permanent-magnet project.
At the University of Warwick, I developed a DFT/DFPT-based workflow that reduced deformation potential calculation cost by at least 20× while retaining ab initio accuracy.
Research Interests: Materials Informatics, Thermoelectric Materials,
DFT/DFPT, High-Throughput Screening, Topological Materials, Electron-Phonon Coupling,
Magnetic Materials, Machine-Learned Interatomic Potentials, Amorphous Materials, Molecular Dynamics