As a means of investigating the structure of the geological subsurface and delineating Sn-W-Li greisen-hosted mineral deposits in the Geyer-Ehrenfriedersdorf area, Central Erzgebirge, Germany, we collected an ambient noise dataset which was supplemented and analysed together with airborne...Uploaded on October 21, 2021
Sample ORCA 4.2.1 input files (TXT); atomic coordinates and NEB paths (XYZ); vibration files (7-column XYZ) for publication T. Wulf, J. Warneke, T. Heine: B₁₂X₁₁(H₂)⁻: exploring the limits of isotopologue selectivity of hydrogen adsorption. RSC Advances, 11:46 (2021), 28466–28475, doi:10.1039/d1ra06322gUploaded on October 17, 2021
Marre, Brian Edward
Neural Solvers are neural network-based solvers for partial differential equations and inverse problems. The framework implements scalable physics-informed neural networks Physics-informed neural networks allow strong scaling by design. Therefore, we have developed a framework that uses data...Uploaded on October 4, 2021
This dataset contains additional data for the publication "A Deep Dive into Machine Learning Density Functional Theory for Materials Science and Chemistry". Its goal is to enable interested people to reproduce the citation analysis carried out in the aforementioned publication. Prerequesites...Uploaded on October 1, 2021
The HZDR multiphase addon contains additional code for the open-source CFD software OpenFOAM, released by The OpenFOAM Foundation. The developments are dedicated to the numerical simulation of multiphase flows, in particular to the multi-field two-fluid model (Euler-Euler method). Within the...Uploaded on September 29, 2021
This set contains the raw data of the fluorescence scanning experiments used in the publication of "Quantification of peptide bound particles: A phage mimicking approach via site-selective immobilization on glass" by Schrader et al..Uploaded on September 27, 2021
LDOS/SNAP data for MALA: Aluminium at 298K and 933K (liquid+solid). Code development was done jointly by the authors. The calculations have mainly been performed by: DFT-MD snapshots / DFT calculations (LDOS data): N. A. Modine (at SNL) SNAP data generation: A. P. Thompson (at SNL) Neural...Uploaded on September 17, 2021
This repository contains the Kohn-Sham density functional theory (KS-DFT) and path-integral Monte-Carlo (PIMC) data used in the journal publication "The relevance of electronic perturbations in the warm dense electron gas".Uploaded on September 15, 2021
Have a look at the restructured documentation and blog system of RODARE. We now can more easily notify about news and features. You also find tutorials there.
The new data publication platform at HZDR.
Read more about Rodare on our overview page.