Data Publication: Kagome Flat Bands from Self-Assembled Water on Non–van der Waals 2D Materials

Barnowsky, Tom; Christie, Madeleine; Nihei, Anastasiia; Friedrich, Rico

Primary Research Data for "Kagome Flat Bands from Self-Assembled Water on Non–van der Waals 2D Materials" Tom Barnowsky, Madeleine Christie, Anastasiia Nihei, and Rico Friedrich TU Dresden & Helmholtz-Zentrum Dresden-Rossendorf, Germany This dataset contains the primary data supporting the...

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Shear-flow-driven bubble growth and detachment under microgravity

Babich, Alexander; Yang, Xuegeng; Mutschke, Gerd; Bashkatov, Aleksandr; Rox, Hannes; Heitkam, Sascha; Eckert, Kerstin

The processed and calculated data supporting the findings of the study

NeuralMPCX: A Model Predictive Control library that supports classic MPC and neural MPC with CasADi

Lopes-Júnior, Ênio; Reinecke, Sebastian Felix

NeuralMPCX is a Python library for building and deploying Model Predictive Controllers with classic and neural dynamical models. You write constrained MPC with RNN/LSTM models in a CasADi/IPOPT workflow. The library handles CasADi RNN integration, warm-starting, constraint management, real-time...

15 more version(s) exist for this record

Data: Si anode processing using flash-lamp annealing for lithium-ion batteries

Cherkouk, Charaf; Weigel, Tina; Ferch, Marc; Hahn, Robert; Köhler, Thomas; Stöcker, Hartmut; Delan, Annekatrin; Hübner, René; Munnik, Frans; Folgner, Christoph; Prucnal, Slawomir; Zhou, Shengqiang; Rebohle, Lars

Batteriezyklierungsrohdaten.

Data Publication: Mixing and Preserving Properties of Non-van der Waals 2D Materials in Sandwich-like Heterostructures

Nihei, Anastasiia; Friedrich, Rico

This repository contains the computational data supporting the publication "Mixing and Preserving Properties of Non-van der Waals 2D Materials in Sandwich-like Heterostructures." by A. Nihei and R. Friedrich. The dataset, hosted on RODARE, encompasses all heterostructure calculations performed...

Multiphase Python Repository by HZDR

Schlegel, Fabian; Fombonne, Clement; Hänsch, Susann; Krull, Benjamin; Lehnigk, Ronald; Meller, Richard

The multiphasepy package is a Python toolkit for building, running, and maintaining CFD simulation case collections for the software released by the OpenFOAM Foundation (but also others, like Ansys Fluent or Siemens Simcenter Star-CCM). It combines reusable library modules with practical...

78 more version(s) exist for this record

Data publication: Use of a partially miscible solvent as the reagent phase to shorten synthesis time and enhance the performance of poly(epoxyether) TFC-membranes

Bozorgmehr, Zahra; Verbeke, Rhea; Tan, Xiaoyu; van Goethem, Cédric; Davenport, Douglas M.; Eyley, Samuel; Thielemans, Wim; Dickmann, Marcel; Helm, Ricardo; Butterling, Maik; Wagner, Andreas; Liedke, Maciej Oskar; Hossein Jandaghian, Mohammad; Volodine, Alexander; Vankelecom, Ivo F. J.

Positron Annihilation Lifetime Spectroscopy (PALS) was employed for assessing free volume and pore size distribution in materials. The variable energy positron annihilation lifetime spectroscopy (VEPALS) measurements were conducted on at the Mono-energetic Positron Source (MePS) beamline at...

Data publication: Probing Neptunium-Platinum bonding in 2-pyridyloxy bridged heterobi- and trimetallic complexes

Grödler, Dennis; Michak, Marvin; Hong, Boseok; Näder, Adrian; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Gericke, Robert

DATA AVAILABILITY for results from SQUID, IR, NMR and quantum chemical calculations for publication Probing Neptunium-Platinum bonding in 2-pyridyloxy bridged heterobi- and trimetallic complexes

Calculate Paramagnetic NMR Shifts From Complete ORCA Output Files

Gericke, Robert; Näder, Adrian; Patzschke, Michael

This script implements the susceptibility formalism in Pell, Pintacuda and Grey, Prog. Nucl. Magn. Reson. Spectrosc. 111 (2019) 1-271 (https://doi.org/10.1016/j.pnmrs.2018.05.001). Inputs are (1) a DFT output containing HFC A matrices in MHz (and optionally a g-matrix), and (2) a CASSCF/NEVPT2...

Crystal-TRIM

Schmidt, Bruno; Posselt, Matthias

Crystal-TRIM is a Monte Carlo simulation code for ion implantation into single-crystalline silicon, germanium and diamond. It is based on the binary collision approximation. It follows the trajectories of energetic ions through the crystal lattice, so it reproduces channeling effects that...