Computer Simulation of Liquids

• From setup to analysis: A compact guide to performing Molecular Dynamics simulations of ion transport in solids

  2025 Solid State Ionics article Chemistry Advanced Physical and Chemical Molecular Interactions Open access

  6

  citations
• DNMT1-mediated regulation of somatostatin-positive interneuron migration impacts cortical architecture and function

  2025 Nature Communications article Neuroscience Neurogenesis and neuroplasticity mechanisms Open access

  13

  citations
• Easy-MODA: Simplifying standardised registration of scientific simulation workflows through MODA template guidelines powered by the Enalos Cloud Platform

  2024 Computational and Structural Biotechnology Journal article Decision Sciences Scientific Computing and Data Management Open access

  13

  citations
• Microscale modelling of non‐woven material compression

  2024 PAMM article Engineering Composite Material Mechanics Open access

  0

  citations
• DNMT1-Mediated Regulation of Somatostatin-positive Interneuron Migration Impacts Cortical Architecture and Function

  2024 bioRxiv (Cold Spring Harbor Laboratory) preprint Neuroscience Neurogenesis and neuroplasticity mechanisms

  0

  citations
• Nanostructure and damage characterisation of bitumen under a low cycle strain-controlled fatigue load based on molecular simulations and rheological measurements

  2024 Composites Part B Engineering article Engineering Asphalt Pavement Performance Evaluation Open access

  35

  citations
• Calculating diffusion coefficients from molecular dynamics simulations for modelling foam processes of polypropylene: Investigating different process conditions and blowing agents

  2024 Journal of Cellular Plastics article Materials Science Polymer Foaming and Composites Open access

  4

  citations
• Unraveling the nano-cracking mechanism in aged asphalt binder with consideration of rejuvenation effects

  2023 Engineering Fracture Mechanics article Engineering Asphalt Pavement Performance Evaluation

  13

  citations
• A novel molecular modeling approach for simulating asphalt-aggregate debonding: Considering interfacial moisture migration

  2023 Construction and Building Materials article Engineering Asphalt Pavement Performance Evaluation

  31

  citations
• Calculating diffusion coefficients from molecular dynamics simulations for foam extrusion modelling of polypropylene with CO 2 , N 2 and ethanol

  2022 Journal of Cellular Plastics article Materials Science Polymer Foaming and Composites Open access

  23

  citations
• A Minimal Information Set To Enable Verifiable Theoretical Battery Research

  2021 ACS Energy Letters other Engineering Advancements in Battery Materials Open access

  30

  citations
• Ultra-strong bio-glue from genetically engineered polypeptides

  2021 Nature Communications article Medicine Surgical Sutures and Adhesives Open access

  199

  citations
• Molecular mechanisms by which tetrahydrofuran affects CO2 hydrate Growth: Implications for carbon storage

  2021 Chemical Engineering Journal article Environmental Science Methane Hydrates and Related Phenomena

  92

  citations
• Mechanical modeling and simulation of aerogels: A review

  2020 Ceramics International article Chemistry Aerogels and thermal insulation

  72

  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
• Generalized Form for Finite-Size Corrections in Mutual Diffusion Coefficients of Multicomponent Mixtures Obtained from Equilibrium Molecular Dynamics Simulation

  2020 Journal of Chemical Theory and Computation article Chemistry Diffusion Coefficients in Liquids Open access

  70

  citations

16 results