Static and Dynamic Properties of Curved Vapour-Liquid Interfaces by Massively Parallel Molecular Dynamics Simulation. - Martin Thomas Horsch; Svetlana Miroshnichenko; Jadran Vrabec; Colin W. Glass; Christoph Niethammer; Martin F. Bernreuther; Erich A. Müller; George Jackson (CHPC, 2010)

On the Calculation of Solid-Fluid Contact Angles from Molecular Dynamics. - Erik E. Santiso; Carmelo Herdes; Erich A. Müller (Entropy, 2013)

Bottled SAFT: A Web App Providing SAFT-γ Mie Force Field Parameters for Thousands of Molecular Fluids. - Åsmund Ervik; Andrés Mejía; Erich A. Müller (J. Chem. Inf. Model., 2016)

A multiscale method for simulating fluid interfaces covered with large molecules such as asphaltenes. - Åsmund Ervik; Morten Olsen Lysgaard; Carmelo Herdes; Guadalupe Jiménez-Serratos; Erich A. Müller; Svend Tollak Munkejord; Bernhard Müller (J. Comput. Phys., 2016)

raaSAFT: A framework enabling coarse-grained molecular dynamics simulations based on the SAFT-γ Mie force field. - Åsmund Ervik; Guadalupe Jiménez-Serratos; Erich A. Müller (Comput. Phys. Commun., 2017)

A GPU Accelerated Lennard-Jones System for Immersive Molecular Dynamics Simulations in Virtual Reality. - Nitesh Bhatia; Erich A. Müller; Omar K. Matar (HCI (11), 2020)

SGTPy: A Python Code for Calculating the Interfacial Properties of Fluids Based on the Square Gradient Theory Using the SAFT-VR Mie Equation of State. - Andrés Mejía; Erich A. Müller; Gustavo Chaparro (J. Chem. Inf. Model., 2021)

Epistemic Metadata for Computational Engineering Information Systems. - Martin Thomas Horsch; Silvia Chiacchiera; Gabriela Guevara-Carrión; Maximilian Kohns; Erich A. Müller; Denis Saric; Simon Stephan; Ilian T. Todorov; Jadran Vrabec; Björn Schembera (FOIS, 2023)