Data publication: Static and dynamic simulation approach using density-functional tight-binding in molecular electronics

Lokamani, Mani; Kilibarda, Filip; Günther, Florian; Kelling, Jeffrey; Strobel, Alexander; Zahn, Peter; Juckeland, Guido; Gothelf, Kurt; Scheer, Elke; Gemming, Sibylle; Erbe, Artur

Configurations and Input files for DFTB simulations

Data publication: Large contact angle hysteresis enhances post-impact droplet oscillations

Zhao, Pengfei; Vadlamudi, Sai Raja Gopal; Zhou, Mi; Zhao, Binyu; Huang, Jiu; Auernhammer, Günter K.; Hampel, Uwe; Ding, Wei

Experimental raw data: Large contact angle hysteresis enhances post-impact droplet oscillations

Multiphase Python Repository by HZDR

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

The python package provides several routines and scripts required to operate the code and cases repositories containing additional code and setups for the open-source software released by the OpenFOAM Foundation. This includes, among other things, utilities for pre- and post-processing of...

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Data publication: Identification of the two main transition velocities based on a novel combined approach validated in a bubble column operated with various water-glucose solutions - Pressure measurements

Nedeltchev, Stoyan; Kryk, Holger; Schubert, Markus

The data files contain the pressure in mbar measured with a timestep of 0.033 s at an axial height of 0.65 m above the sparger (see description file EXPERIMENTAL DETAILS.pdf and chapter 3 of the associated publication).

Research Data: Recovery of rare earth elements by peptide-induced Ln3+ precipitation

Techert, Gerda; Kretzschmar, Jerome; Worbs, Andreas; Steudtner, Robin; Bloß, Christoph; Boelens, Peter; Drobot, Björn; Hübner, René; Schönberger, Nora; Pollmann, Katrin; Lederer, Franziska

Electronic waste and wastewater from mining, industry, etc. are valuable secondary sources of strategic high-tech metals like rare earth elements (REEs). Due to low concentrations of REEs, their recovery is challenging. Current separation processes have high energy consumption and use large...

Data publication: Van-der-Waals exchange-correlation functionals and their high pressure and warm dense matter applications

Vorberger, Jan; Smith, Gabriel J.; van Benschoten, William Z.; Petras, Hayley R.; Moldabekov, Zhandos; Dornheim, Tobias; Shepherd, James J.

QMC and DFT-MD data for all the figures and additional (unused) DFT-MD data. All input and output files.

PrecisionCarriers.jl

Reinhard, Anton; Hernandez Acosta, Uwe; Bussmann, Michael

A julia package to find imprecisions in chains of arithmetic functions.

Data publication: Let's get cyclic – Influence of Head-to-Tail Cyclisation of Lanmodulin-inspired peptides on the Lanthanide Affinity and Structure

Gutenthaler-Tietze, Sophie M.; Kretzschmar, Jerome; Tsushima, Satoru; Weis, Patrick; Steudtner, Robin; Drobot, Björn; Daumann, Lena J.

The dataset comprises the experimental data that form the basis of the conclusions presented in the paper, including spectroscopic, calorimetric, and microscopic data. This repository will become openly accessible upon publication of the manuscript. Until then, please contact the author, Björn Drobot.

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pyMarAI: nnU-Net-based Tumor Spheroids Auto Delineation

Maus, Jens; Nitschke, Janina; Nikulin, Pavel; Hofheinz, Frank; Barth, Mareike; Lemm, Sandy; Richter, Lena; Pietzsch, Jens; Braune, Anja; Ullrich, Martin

Collection of neural network models for automatic image segmentation of microscopic tumor spheroids. Intended to be used with nnU-Net deep-learning framework. Trained and tested on a total of microscopic images of mouse pheochromocytoma (MPC) tumor cells. In addition to the trained network...

Data publication: Elemental data from transpired fluid from Norway spruce needles of the Horizon 2020 project NEXT

Pospiech, Solveig; Middleton, Maarit

1. Overview This repository contains the **final, cleaned chemistry data** that were produced from the 2019 Raja field campaign of the Horizon 2020 Project NEXT. The data combine: Norway spruce needle transpired fluids concentrations for a set of selected elements. Corresponding soil‑till depth,...