Research interests + projects
Research in my group focuses on developing simple physical models to describe macromolecular behavior. Our aim is to elucidating fundamental processes (physical, topological, and chemical) which determine the behavior and performance of materials. We utilize computer simulations and statistical thermodynamic theory for problems of fundamental as well as industrial interest, focusing primarily on the behavior of polymers and biopolymers. Predicting and understanding structure-property-performance relations requires spanning over large spatial and temporal scales, for which we utilize both atomistic models and develop coarse-grained mesoscopic models. Deep Learning algorithms are developed for database-driven force-field parametrization.
Selected publications + presentations
S. Srebnik, S. Pusara, and D.R. Dekel, Effect of Carbonate Anions on Quaternary Ammonium-Hydroxide Interaction. J. Phys. Chem. C acs.jpcc.9b03131 (2019). doi:10.1021/acs.jpcc.9b03131
E. Tamir, A. Sidess, and S. Srebnik, Thermodynamic, structural, and mechanical properties of fluoropolymers from molecular dynamics simulation: Comparison of force fields. Chemical Engineering Science 205, 332–340 (2019).
S. Pusara, S. Srebnik, and D.R. Dekel, Molecular Simulation of Quaternary Ammonium Solutions at Low Hydration Levels. J. Phys. Chem. C 122, 11204–11213 (2018).
B. Haimov, and S. Srebnik, The Relation between α-Helical Conformation and Amyloidogenicity. Biophys. J. 114, 1869–1877 (2018).
I. Zadok and S. Srebnik, Coarse-Grained Simulation of Protein-Imprinted Hydrogels, J. Phys. Chem. B 122 (28), 7091-7101 (2018).
V. Raim and S. Srebnik, Simulation of osmotic pressure across an amorphous semipermeable membrane, J. Membrane Sci. 563, 183-190 (2018).
R. Yankelov, I. Yungerman, and S. Srebnik, The selectivity of protein-imprinted gels and its relation to protein properties: A computer simulation study. J. Mol. Recognit. 30, 1–10 (2017).
H. Hecht and S. Srebnik, Sequence-dependent association of alginate with sodium and calcium counterions, Carbohydrate polymers 157, 1144-1152 (2017).
B. Haimov and S. Srebnik, A closer look into the α-helix basin. Sci. Rep. 6, 38341 (2016).
H. Hecht and S. Srebnik, Structural characterization of sodium alginate and calcium alginate. Biomacromolecules 17, 2160–2167 (2016).
V. Raim, I. Zadok, and S. Srebnik, Comparison of descriptors for predicting selectivity of protein‐imprinted polymers, J. Mole. Recog. 29 (8), 391-400 (2016).