Latest publications

Building Water Models Compatible with Charge Scaling Molecular Dynamics
Journal of Physical Chemistry Letters 15 (10): 2922–2928 (2024)
Hyaluronan-arginine enhanced and dynamic interaction emerges from distinctive molecular signature due to electrostatics and side-chain specificity
Carbohydrate Polymers 325: 121568 (2024)
Hydration of biologically relevant tetramethylammonium cation by neutron scattering and molecular dynamics†
Physical Chemistry Chemical Physics 26 (4): 3208-3218 (2024)
Nonaqueous Ion Pairing Exemplifies the Case for Including Electronic Polarization in Molecular Dynamics Simulations
Journal of Physical Chemistry Letters 14 (39): 8691–8696 (2023)