Publications

Dimitar Garkov, Christoph Müller, Matthias Braun, Daniel Weiskopf, and Falk Schreiber. Research Data Curation in Visualization : Position Paper. 2022 IEEE Evaluation and Beyond - Methodological Approaches for Visualization (BELIV), 56-65, IEEE, 2022. [PUMA: from:matthiasbraun peer rdm visus:braunms visus:mueller visus:weiskopf]

Jean-Noël Grad, Alexander Reinauer, Markus Holzer, Christian Holm, and Rudolf Weeber. ESPResSo and LbmPy: Re-usable and modular interface between particle-based and lattice-based simulation codes. deRSE23 - Conference for Research Software Engineering in Germany (deRSE23), Paderborn, Germany, Zenodo, Feb 25, 2023. [PUMA: from:matthiasbraun] URL

Matthias Braun, Guido Reina, and Thomas Ertl. Poster for deRSE19 Conference: Software Sustainability for the Open-Source Particle Visualization Framework MegaMol. 2023. [PUMA: from:matthiasbraun]

J Baz, C Held, Jürgen Pleiss, and N Hansen. Thermophysical properties of glyceline-water mixtures investigated by molecular modelling.. Physical Chemistry Chemical Physics, (21):6467 - 6476, 2019. [PUMA: 2019 sfb716-c1 sfb716 from:matthiasbraun]

M. Lahnert, T. Aoki, C. Burstedde, and M. Mehl. Minimally-Invasive Integration of p4est in ESPResSo for Adaptive Lattice-Boltzmann.. The 30th Computational Fluid Dynamics Symposium, Japan Society of Fluid Mechanics, 2016. [PUMA: sfb716 2016 from:matthiasbraun sfb716-d8]

Liang Zhou, and Daniel Weiskopf. Multivariate Visualization of Particle Data.. The European Physical Journal (Special Topics), (227: Particle Methods in Natural Science and Engineering)14:1741--1756, 2019. [PUMA: 2019 visus:weiskopf sfb716 visus:zhoulg from:matthiasbraun sfb716-d5]

F. C. Maier, and M. Fyta. Influence of dynamics on the conductance across functionalized electrodes for biodetection.. 2019. [PUMA: 2019 sfb716 sfb716-c9 from:matthiasbraun]

Ganesh Sivaraman, Fabio A. L. de Souza, Rodrigo G. Amorim, Wanderla L. Scopela, Maria Fyta, and Ralph H. Scheicher. Electronic Transport along Hybrid MoS2 Monolayers.. The Journal of Physical Chemistry C, (120)41:23389--3396, 2016. [PUMA: sfb716 2016 sfb716-c9 from:matthiasbraun]

Andreas Natterer, Bibek Adhikari, and Maria Fyta. Complexes of carbene-functionalized diamondoids and metal atoms: Electronic properties. Journal of Organometallic Chemistry, (815-816):8-15, 2016. [PUMA: sfb716 2016 sfb716-c9 from:matthiasbraun]

F. C. Maier, C. S. Sarap, M. Dou, G. Sivaraman, and M. Fyta. Diamondoid-functionalized nanogaps: From small molecules to electronic biosensing.. In C. Holm, T. Ertl, S. Schmauder, J. Kästner, and J. Groß (Eds.), The European Physical Journal (Special Topics), (227: Particle Methods in Natural Science and Engineering)14:1681--1692, 2019. [PUMA: 2019 sfb716 sfb716-c9 from:matthiasbraun]

S. Hirschmann, M. Lahnert, C. Schober, M. Brunn, M. Mehl, and D. Pflüger. Load-Balancing and Spatial Adaptivity for Coarse-Grained Molecular Dynamics Applications.. High Performance Computing in Science and Engineering, (18)Springer, 2018. [PUMA: 2018 sfb716 sfb716-d9 from:matthiasbraun sfb716-d8]

S. Hirschmann, C. W. Glass, and D. Pflüger. Enabling Unstructured Domain Decompositions for Inhomogeneous Short-Range Molecular Dynamics in ESPResSo. Particle Methods in Natural Science and Engineering.. In C. Holm, T. Ertl, S. Schmauder, J. Kästner, and J. Groß (Eds.), The European Physical Journal (Special Topics), (227: Particle Methods in Natural Science and Engineering)14:1779-1788, 2019. [PUMA: 2019 sfb716 sfb716-d9 from:matthiasbraun]

Finian Mwalongo, Michael Krone, Guido Reina, and Thomas Ertl. Web-based Volume Rendering using Progressive Importance-based Data Transfer. Proceedings of Vision, Modeling, and Visualization (VMV), 2018. [PUMA: sfb716-d3 sfb716-d4 2018 sfb716 from:matthiasbraun]

Adwait V. Datar, Maria Fyta, Umberto Marini Bettolo Marconi, and Simone Melchionna. Electrokinetic Lattice Boltzmann Solver Coupled to Molecular Dynamics: Application to Polymer Translocation. Langmuir, (33)42:11635-11645, 2017. [PUMA: 2017 sfb716 sfb716-c9 from:matthiasbraun]

F. C. Maier, M. Dou, and M. Fyta. Solvent effects in the transmission across diamondoid-functionalized gaps reading-out DANN.. 2019. [PUMA: 2019 sfb716 sfb716-c9 from:matthiasbraun]

Bibek Adhikari, Sheng Meng, and Maria Fyta. Carbene-mediated self-assembly of diamondoids on metal surfaces.. Nanoscale, (8):8966--8975, 2016. [PUMA: sfb716 2016 sfb716-c9 from:matthiasbraun]

Sergio Cruz León, Mara Prentiss, and Maria Fyta. Binding energies of nucleobase complexes: Relevance to homology recognition of DNA. Physical Review E, (93)624102016. [PUMA: sfb716 2016 sfb716-c9 from:matthiasbraun]

Ewa Anna Oprzeska-Zingrebe, Miriam Kohagen, Johannes Kästner, and Jens Smiatek. Unfolding of DNA by co-solutes: insights from Kirkwood--Buff integrals and transfer free energies.. In C. Holm, T. Ertl, S. Schmauder, J. Kästner, and J. Groß (Eds.), The European Physical Journal (Special Topics), (227: Particle Methods in Natural Science and Engineering)14:1665--1679, 2019. [PUMA: 2019 sfb716 sfb716-c8 from:matthiasbraun] URL

Barbora Kozlikova, Michael Krone, Norbert Lindow, Martin Falk, Marc Baaden, Daniel Baum, Ivan Viola, Julius Parulek, and Hans-Christian Hege. Visualization of biomolecular structures: state of the art. In Rita Borgo, Fabio Ganovelli, and Ivan Viola (Eds.), Eurographics Conference on Visualization (EuroVis)-STARs, 61-81, The Eurographics Association, 2015. [PUMA: sfb716-d4 sfb716 2015 from:matthiasbraun]

Sergio Cruz-Leon, Alvaro Vazquez-Mayagoitia, Simone Melchionna, Nadine Schwierz, and Maria Fyta. Coarse-Grained Double-Stranded RNA Model from Quantum-Mechanical Calculations.. The Journal of Physical Chemistry B, (122)32:7915--7928, 2018. [PUMA: 2018 sfb716 sfb716-c9 from:matthiasbraun]