245 citations · 2.8k across the 42 of their papers we have counts for
42 papers
Accelerating Chemical Potential Calculations with Minimal Normalizing Flows
Philippe Baron, Athanassios Z. Panagiotopoulos
Chemical potentials are among the most important properties that can be obtained from a molecular simulation since they define many technologically relevant collective properties.…
Polymer-Residue Accessibility Shapes Sequence Dependence of Critical Temperatures for Phase Separation
J. Pedro de Souza, Benjamin Sorkin, Amala Akkiraju +2
Biological polymers, such as intrinsically disordered proteins, play a central role in cellular biology, including mediating phase separation and controlling activity of biological…
Solvent Selectivity controls Micro- versus Macro-phase Separation in Multiblock Chains
Athanassios Z. Panagiotopoulos
Monte Carlo simulations in the grand canonical ensemble were used to obtain critical parameters and conditions leading to microphase separation for block copolymers with solvophili…
Sequence Dependence of Critical Properties for 2-letter Chains
Athanassios Z. Panagiotopoulos
Histogram-reweighting grand canonical Monte Carlo simulations are used to obtain the critical properties of lattice chains composed of solvophilic and solvophobic monomers. The mod…
Why does dissolving salt in water decrease its dielectric permittivity
Chunyi Zhang, Shuwen Yue, Athanassios Z. Panagiotopoulos +2
The dielectric permittivity of salt water decreases on dissolving more salt. For nearly a century, this phenomenon has been explained by invoking saturation in the dielectric respo…
A first-principles machine-learning force field for heterogeneous ice nucleation on microcline feldspar
Pablo M. Piaggi, Annabella Selloni, Athanassios Z. Panagiotopoulos +2
The formation of ice in the atmosphere affects precipitation and cloud properties, and plays a key role in the climate of our planet. Although ice can form directly from liquid wat…