Dr. Aydin is a staff scientist in Quantum Simulations Group of Material Science Division. He received a Ph.D. in Chemical & Biochemical Engineering at Rutgers University, and a BS.c. in Chemical & Biological Engineering at Koç University in Istanbul, Turkey. He was a postdoc in the Department of Chemistry at The University of Chicago before joining LLNL. His research interests lie at the intersection of biology, chemistry, and materials science. He has developed and applied multiscale simulation approaches, including all-atom to coarse-grained molecular dynamics simulations and enhanced free energy sampling techniques, to study behavior of systems ranging from drug and protein molecules to synthetic/bio-polymeric materials. Some of his current research topics are understanding transport and selectivity of ions under nanoscale confinement, developing multiscale modeling approaches for large biomolecular assemblies, performing atomistic simulations to investigate interfacial phenomena such as gas bubble nucleation, contributing to the development of software tools to enable predictive atomistic simulations with uncertainty quantification, and applying molecular dynamics simulations to study the effects of external physical stimuli on biological systems.

Ph.D. Chemical & Biochemical Engineering, Rutgers University, New Brunswick, NJ

BS.c. Chemical & Biological Engineering, Koç University, Istanbul, Turkey

Selected publications

1. F. Aydin, M. F. C. Andrade, R. S. Stinson, A. Zagalskaya, D. Schwalbe-Koda, Z. Chen, S. Sharma, A. Maiti, D. V. Esposito, S. Ardo, T. A. Pham, T. Ogitsu. “Mechanistic Insights on Permeation of Water over Iron Cations in Nanoporous Silicon Oxide Films for Selective H2 and O2 Evolution” ACS Applied Materials & Interfaces 15, 17814-17824 (2023).
2. H. I. Ingólfsson, H. Bhatia, F. Aydin, T. Oppelstrup, C. A. López, L. G. Stanton, T. S. Carpenter, S. Wong, F. Di Natale, X. Zhang, J. Y. Moon, C. B. Stanley, J. R. Chavez, K. Nguyen, G. Dharuman, V. Burns, R. Shrestha, D. Goswami, G. Gulten, Q. N. Van, A. Ramanathan, B. Van Essen, N. W. Hengartner, A. G. Stephen, T. Turbyville, P-T. Bremer, S. Gnanakaran, J. N. Glosli, F. C. Lightstone, D. V. Nissley, F. H. Streitz. “Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation Infrastructure” Journal of Chemical Theory and Computation 9, 2658–2675 (2023).
3. H. Bhatia, F. Aydin, T. S. Carpenter, F. C. Lightstone, P-T. Bremer, H. I. Ingólfsson, D. V. Nissley, F. H. Streitz. “The confluence of machine learning and multiscale simulations” Current Opinion in Structural Biology 80, 102569 (2023).
4. J. W. Polster, F. Aydin, P. de Souza, M. Z. Bazant, T. A. Pham, Z. S. Siwy. “Rectified and Salt Concentration Dependent Wetting of Hydrophobic Nanopores” JACS 144, 11693-11705 (2022).
5. F. Aydin, A. Moradzadeh, C. L. Bilodeau, E. Y. Lau, E. Schwegler, N. R. Aluru, T. A. Pham. “Ion Solvation and Transport in Narrow Carbon Nanotubes: Effects of Polarizability, Cation-π Interaction, and Confinement” J. Chem. Theory Comput., 17, 1596–1605 (2021).
6. F. Aydin, A.E.P. Durumeric, G. C. A. da Hora, J. D. M. Nguyen, M. I. Oh, J. M. J. Swanson. “Improving the accuracy and convergence of drug permeation simulations via machine-learned collective variables” J. Chem. Phys. 155 (2021).
7. F. Aydin, M. R. Cerón, S. A. Hawks, D. I. Oyarzun, C. Zhan, T. A. Pham, M. Stadermann, P. G. Campbell. “Selectivity of Nitrate and Chloride Ions in Microporous Carbons: The Role of Anisotropic Hydration and Applied Potentials” Nanoscale12, 20292-20299 (2020).
8. Y. Li*, Z. Li*, F. Aydin*, J. Quan, X. Chen, Y-C. Yao, C. Zhan, Y. Chen, T. A. Pham, A. Noy. “Water-Ion Permselectivity of Narrow Diameter Carbon Nanotube Porins” Science Advances 7, eaba9966 (2020) (*Equal contribution).
9. F. Aydin*, C. Zhan*, C. Ritt, R. Epsztein, M. Elimelech, E. Schwegler, T. A. Pham. “Similarities and differences between potassium and ammonium ions in liquid water: a first-principles study” Physical Chemistry Chemical Physics 22, 2540-2548 (2020) (*Equal contribution).
10. F. Aydin, N. Courtemanche, T. D. Pollard, G. A. Voth. “Gating Mechanisms during Actin Filament Elongation by Formins” eLife 7, e37342 (2018). 
11. F. Aydin, X. Chu, G. Uppaladadium, R. Goyal, Z. Zhang, D. Devore, J. Kohn, M. Dutt. “Self-Assembly and Critical Aggregation Concentration Measurements of ABA Triblock Copolymers with Varying B Block Types: Model Development, Prediction, and Validation” J. Phys. Chem. B 120, 3666-3676 (2016).
    
    For a more complete list, see: Google Scholar

• PLS Directorate Award for Excellence in Publication, Lawrence Livermore National Laboratory, 2021
• Education Committee Travel Award, Biophysical Society's Annual Meeting in San Francisco, 2018

• Reviewer for peer-reviewed journals
• The Basic Energy Sciences Early Career Network Representative for the Center for Enhanced Nanofluidic Transport (2021-2022)