Analytical Derivatives of Symmetry-Adapted Perturbation Theory Corrections for Interaction-Induced Properties
A new approach that allows for the calculation of interaction-induced properties exclusively from the properties of monomers is presented. The method is derived in the spirit of the symmetry-adapted p...
In Memoriam: Professor Manuel Barranco
April 2025 The COSY community deeply mourns the loss of our dear friend and esteemed colleague, Professor Manuel Barranco. Professor ...
On the mechanism behind the enhanced solubility of glibenclamide in aqueous ionic liquid solution
Title: On the mechanism behind the enhanced solubility of glibenclamide in aqueous ionic liquid solution Authors: Žyginta Murnikova, Vytautas Klimavicius, ...
Open Positions: Task-Force Groups Leaders & Co-Leaders
Open Positions: Task-Force Groups Leaders & Co-Leaders Task-Force Group (TFG) Leaders and Co-Leaders will propose a plan and, ...
All-Atom Molecular Dynamics Simulations of Grafted Poly(N
Title: All-Atom Molecular Dynamics Simulations of Grafted Poly(N-dimethylaminoethyl methacrylate) Brushes Authors: Simon Tippner, David Hernández-Castillo, Felix H. Schacher, Leticia González ...
Interatomic Coulombic decay in lithium-doped large helium nanodroplets induced by photoelectron impact excitation
Title: Interatomic Coulombic decay in lithium-doped large helium nanodroplets induced by photoelectron impact excitation Authors: L Ben Ltaief, K Sishodia, ...
