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Beilstein Journal of Nanotechnology|August 16, 2013
Magnetic anisotropy of graphene quantum dots decorated with a ruthenium adatomIgor Beljakov, Velimir Meded, Franz Symalla, et al.Journal of Chromatography. A|June 16, 2024
All-atom modeling of methacrylate-based multi-modal chromatography resins for Langmuir constant prediction of peptidesTim Ballweg, Modan Liu, Julian Grimm, et al.International Journal of Molecular Sciences|May 27, 2023
Multiscale Model of CVD Growth of Graphene on Cu(111) SurfaceMeysam Esmaeilpour, Patrick Bügel, Karin Fink, et al.ACS Applied Materials & Interfaces|April 11, 2024
Design of Modified Polymer Membranes Using Machine LearningSarah Glass, Martin Schmidt, Petra Merten, et al.Chemical Science|June 24, 2021
Automatic discovery of photoisomerization mechanisms with nanosecond machine learning photodynamics simulationsJingbai Li, Patrick Reiser, Benjamin R Boswell, et al.Digital Discovery|June 30, 2025
PAL - parallel active learning for machine-learned potentialsChen Zhou, Marlen Neubert, Yuri Koide, et al.Communications Chemistry|December 19, 2023
On-off conduction photoswitching in modelled spiropyran-based metal-organic frameworksMersad Mostaghimi, Helmy Pacheco Hernandez, Yunzhe Jiang, et al.Physical Chemistry Chemical Physics : PCCP|September 27, 2017
Structural origins of the cohesive energy in metal-terpyridine oligomer thin-filmsVelimir Meded, Nikolaus Knorr, Tobias Neumann, et al.Journal of Chemical Theory and Computation|June 29, 2023
Dynamic Effects on Hole Transport in Amorphous Organic Semiconductors: a Combined QM/MM and kMC StudyAli Deniz Özdemir, Samaneh Inanlou, Franz Symalla, et al.ACS Nano|April 28, 2020
From Absorption Spectra to Charge Transfer in Nanoaggregates of Oligomers with Machine LearningLoïc M Roch, Semion K Saikin, Florian Häse, et al.Pageof 21