Berezkin, A. V.; Kudryavtsev, Y. V.: Effect of Cross-Linking on the Structure and Growth of Polymer Films Prepared by Interfacial Polymerization. Langmuir 31 (44), pp. 12279 - 12290 (2015)
Berezkin, A. V.; Kudryavtsev, Y. V.: Linear interfacial polymerization: Theory and simulations with dissipative particle dynamics. The Journal of Chemical Physics 141 (19), 194906 (2014)
Berezkin, A. V.; Kudryavtsev, Y. V.: Hybrid approach combining dissipative particle dynamics and finite-difference diffusion model: Simulation of reactive polymer coupling and interfacial polymerization. The Journal of Chemical Physics 139 (15), 154102 (2013)
Berezkin, A. V.; Kudryavtsev, Y. V.: End-coupling reactions in incompatible polymer blends: From droplets to complex micelles through interfacial instability. Macromolecules 46 (12), pp. 5080 - 5089 (2013)
Auer, A. A.; Richter, A.; Berezkin, A. V.; Guseva, D. V.; Spange, S.: Theoretical study of twin polymerization – From chemical reactivity to structure formation. Macromolecular Theory Simulations 21 (9), pp. 615 - 628 (2012)
Berezkin, A. V.; Biedermann, P. U.: Multiscale simulation of polyurethane network. World Polymer Congress 2012, Blacksburg, Virginia Tech, USA, June 24, 2012 - June 29, 2012. (2012)
Berezkin, A. V.; Biedermann, P. U.; Auer, A. A.: Mesoscale simulation of network formation and structure, combining molecular dynamics and kinetic Monte Carlo approaches. European Polymer Congress 2011, Granada, Spain, June 26, 2011 - July 01, 2011. (2011)
Berezkin, A. V.; Biedermann, P. U.; Auer, A. A.: Mesoscale simulation of network formation and structure, combining molecular dynamics and kinetic Monte Carlo approaches. European Polymer Congress 2011, Granada, Spain (2011)
Berezkin, A. V.; Biedermann, P. U.: Simulation of polyurethane and water interac-tions with the ZnO surface: DFT and classical OPLS-AA force field calculation. 4-th World Congress on Adhesion and Related Phenomena, Arcachon, France 2010 (2010)
Max Planck scientists design a process that merges metal extraction, alloying and processing into one single, eco-friendly step. Their results are now published in the journal Nature.
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
Hydrogen in aluminium can cause embrittlement and critical failure. However, the behaviour of hydrogen in aluminium was not yet understood. Scientists at the Max-Planck-Institut für Eisenforschung were able to locate hydrogen inside aluminium’s microstructure and designed strategies to trap the hydrogen atoms inside the microstructure. This can…
The development of pyiron started in 2011 in the CM department to foster the implementation, rapid prototyping and application of the highly advanced fully ab initio simulation techniques developed by the department. The pyiron platform bundles the different steps occurring in a typical simulation life cycle in a single software platform and…
Funding ended January 2023 This group was concerned with the 3D mapping of hydrogen at near-atomic scale in metallic alloys with the aim to better understand hydrogen storage materials and hydrogen embrittlement.