Publications from 2020-2024



187. A. Bakhshandeh and Y. Levin, On the Validity of Constant pH Simulations, J. Chem. Theory Comput. 20, 1889 (2024).

186. A. Bakhshandeh and Y. Levin, Canonical Titration Simulations, PCCP, 25, 32800 (2023).

185. A. Bakhshandeh and Y. Levin, Titration in Canonical and Grand-Canonical Ensembles, J. Phys. Chem. B 127, 9405 (2023)

184. Tarcísio N. Teles, Calvin A. F. Farias, Renato Pakter and Yan Levin. A Monte Carlo Method for Calculating Lynden-Bell Equilibrium in Self-Gravitating Systems, Entropy 25, 1379, (2023).

183. Y. Levin, A. Bakhshandeh, A new method for reactive constant pH simulations, J. Chem. Phys. 159, 111101 (2023).

182. Thiago Colla, Igor M. Telles, Muhammad Arfan, Alexandre P. dos Santos and Yan Levin, Spiers Memorial Lecture: Towardsunderstanding of iontronic systems:electroosmotic flow of monovalent anddivalent electrolyte through chargedcylindrical nanopores, Faraday Discussions 246, 11 (2023).

181. A. Bakhshandeh and Y. Levin, Charge fluctuations in charge-regulated systems: dependence on statistical ensemble, Europhys. J. E 46: 65 (2023).

180. Y. Levin and A. Bakhshandeh, Comment on ‘‘Simulations of ionization equilibria in weak polyelectrolyte solutions and gels’’ by J. Landsgesell, L. Nová, O. Rud, F. Uhlı́k, D. Sean, P. Hebbeker, C. Holm and P. Košovan, Soft Matter 19, 3519 (2023).

179. C. A. Fracassi Farias, R. Pakter, and Y. Levin, Euler fluid in two dimensions: Statistical approach, Phys. Rev. E 107, 024115 (2023).

178. A. Bakhshandeh, D. Frydel, and Y. Levin, Theory of Charge Regulation of Colloidal Particles in Electrolyte Solutions, Langmuir 38, 13963 (2022).

177. A. Bakhshandeh and Y. Levin, Widom insertion method in simulations with Ewald summation, J. Chem. Phys. 156, 134110 (2022).

176. I. M. Telles, Y. Levin, A. P. dos Santos, Reversal of Electroosmotic Flow in Charged Nanopores with Multivalent Electrolyte, Langmuir 38, 3817 (2022).

175. A. Bakhshandeh, D. Frydel, and Y. Levin Reactive Monte Carlo simulations for charge regulation of colloidal particles J. Chem. Phys. 156, 014108 (2022).

174. R. K Bombardelli, I.M. Telles A.P. dos Santos, and Y. Levin, Electroosmotic Flow in Polarizable Charged Cylindrical Nanopores, J. Phys. Chem. B 125, 11091 (2021).

173. I.M. Telles, R. K Bombardelli,, A.P. dos Santos, and Y. Levin, Simulations of electroosmotic flow in charged nanopores using Dissipative Particle Dynamics with Ewald summation, J. Mol. Liquids 336, 116263 (2021).

172. D. A. Gomez, D. Frydel, and Y. Levin, Lattice-gas model of a charge regulated planar surface, J. Chem. Phys. 154, 074706 (2021).

171. R. Pakter and Y. Levin, Shear zone instability of a 2d periodic Euler flow, Physica A 561, 125297 (2021).

170. A. Bakhshandeh, A.P. dos Santos, and Y. Levin, Interaction between Charge-Regulated Metal Nanoparticles in an Electrolyte Solution, J. Phys. Chem. B 124, 11762 (2020).

169. A. Bakhshandeh , D. Frydel, and Y. Levin, Charge regulation of colloidal particles in aqueous solutions, Phys. Chem. Chem. Phys. 22, 24712 (2020).

168. D. Frydel and Y. Levin, Thermodynamic collapse in a lattice-gas model for a two-component system of penetrable particles, Phys. Rev. E 102, 032101 (2020).

167. C. A. Fracassi Farias, R. Pakter, and Y. Levin, Linear and non-linear instabilities of Kirchhoff's elliptical vortices, J. Stat. Mech. - Theory and Experiment 8, 083205 (2020).

166. R.M. Malossi, M. Girotto, A. P. dos Santos, and Y. Levin, Simulations of electrolyte between charged metal surfaces, J. Chem. Phys. 16, 2390 (2020).

165. T. Colla, A. Bakhshandeh, and Y. Levin, Osmotic stress and pore nucleation in charged biological nanoshells and capsids, Soft Matter 16, 2390 (2020), DOI: 10.1039/c9sm02532d (2020).