Computational Material Science for Energy applications
Team

Team

Dr. S. Shahab Naghavi
Team Leader

Shahab Naghavi received his Ph.D. in solid-state chemistry from The Johannes Gutenberg University of Mainz in Claudia Felser’s group, where using first-principles methods, he studied magnetic Heusler compounds and organic charge-transfer salts. The whole group moved to the Max Planck Institute for Chemical Physics of Solids, where Shahab spent six months there. After finishing his Ph.D., Shahab changed his research direction by working in the group of Prof. Erio Tosatti in SISSA, where he studied the Jahn-Teller distortion, crystal structure prediction, and superconductivity of metal-doped organic solids. Shahab then flew across the oceans to Northwestern University (NU) to work in Chris. Wolverton’s group. After completing his postdoctoral research in a materials science group in 2018, Shahab accepted a position as an Assistant Professor at Shahid Beheshti University (SBU). His research in SBU focuses on computational design and the discovery of materials for energy applications. Reflecting on his academic background, research in Shahab’s group is interdisciplinary, straddling the borders of chemistry, physics, and materials.

Naghavi.shahab@gmail.com
+98 (21) 29902809

PostDocs

Dr. Milad Rayka
Post-doctoral research scientist

Investigating Uncertainty Quantification Approaches for Deep Learning-based Prediction of Protein-ligand Binding Affinity.

milad.rayka@yahoo.com

Graduate Students

Amir Ata Jalali
Master Student

2D Materials for Energy Harvesting Application

jalali.ata@gmail.com

Masoumeh Shams Ghamsary
Ph.D. student

Computational Study of the Activation Mechanism of Enzymes

masoumehshams.gh@gmail.com

Hamid Reza Golriz
Ph.D. student

Experimental and Computational Study of Catalyst

hrgolriz@yahoo.com

Former Group Members

Zahra Haji Ahmadi, Post-doctoral research scientist, z.hajiahmadi@hzdr.de

Mahsa Gholami, MS student, mahsagholami372@gmail.com

Sakineh Mizani, Post-doctoral research scientist, S.mizani1990@gmail.com

Meisam Taheri, MS student, Taherimeisam1996@gmail.com

Sajjad BazrAfshan, MS student, sajjadbazrafshan6@gmail.com

Shima Shahabfar, MS student, shima98sh@u.northwestern.edu

Azar Ostovan, Post-doctoral research scientist, azarostovan@gmail.com

Hatef Shahmohammadi, MS student, hatef.shahmohammadi@ucalgary.ca

Sahar Bayat, MS student

Sanaz Mohammadi Asl, Visitor

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