MOLSIM: A modular molecular simulation software

• Exploring guest molecule uptake in pH-responsive polyelectrolyte microgels via Monte Carlo simulations

  2024 Soft Matter article Chemistry Electrostatics and Colloid Interactions Open access

  6

  citations
• Monte Carlo simulation of the ionization and uptake behavior of cationic oligomers into pH-responsive polyelectrolyte microgels of opposite charge – a model for oligopeptide uptake and release

  2024 Soft Matter article Biochemistry, Genetics and Molecular Biology Hydrogels: synthesis, properties, applications Open access

  11

  citations
• Ionisation and swelling behaviour of weak polyampholyte core–shell networks – a Monte Carlo study

  2023 Soft Matter article Chemistry Electrostatics and Colloid Interactions

  12

  citations
• Changes in the Form Factor and Size Distribution of Nanogels in Crowded Environments

  2022 Nano Letters article Materials Science Material Dynamics and Properties

  17

  citations
• Monte Carlo simulations of weak polyampholyte microgels: pH-dependence of conformation and ionization

  2021 Soft Matter article Chemistry Electrostatics and Colloid Interactions

  18

  citations
• MOCASSIN : Metropolis and kinetic Monte Carlo for solid electrolytes

  2020 Journal of Computational Chemistry article Engineering Advanced Battery Materials and Technologies Open access

  25

  citations

6 results