16 citations · 17 across the 3 of their papers we have counts for
4 papers
Path Dependence in Alchemical Calculations of Water Chemical Potential in Aqueous Electrolytes
Arlind Kacirani, Betül Uralcan, Amir Haji-Akbari
Accurate calculation of free energies and their derivatives is central to assessing the thermodynamic stability of molecular and particulate systems across length scales. Yet such…
Formation of Dissipative Structures in Microscopic Models of Mixtures with Species Interconversion
Thomas J. Longo, Nikolay A. Shumovskyi, Betül Uralcan +3
The separation of substances into different phases is ubiquitous in nature and important scientifically and technologically. This phenomenon may become drastically different if the…
Interconversion-controlled liquid-liquid phase separation in a molecular chiral model
Betul Uralcan, Thomas J. Longo, Mikhail A. Anisimov +2
Liquid-liquid phase separation of liquids exhibiting interconversion between alternative states has been proposed as an underlying mechanism for fluid polyamorphism, and may be of…
Concentration Fluctuations and Capacitive Response in Dense Ionic Solutions
Betul Uralcan, Ilhan A. Aksay, Pablo G. Debenedetti +1
We use molecular dynamics simulations in a constant potential ensemble to study the effects of solution composition on the electrochemical response of a double layer capacitor. We…