Data and Scripts for "Accelerating Equilibration in First-Principles Molecular Dynamics with Orbital-Free Density Functional Theory"

Fiedler, Lenz; Moldabekov, Zhandos; Shao, Xuecheng; Jiang, Kaili; Dornheim, Tobias; Pavanello, Michele; Cangi, Attila

# Data and Scripts for "Accelerating Equilibration in First-Principles Molecular Dynamics with Orbital-Free Density Functional Theory" This dataset contains data and calculation scripts for the publication "Boosting first-principles molecular dynamics with orbital-free density functional...

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WP7 Task 3 Current Activities

Steinbach, Peter; Gernhardt, Felicita Purnama Dewi

Presentation given to report the current status on our activities in the LEAPS-INNOV WP7 task 3. For the agenda, see https://events.hifis.net/event/210/

Software for "Optimized laser ion acceleration at the relativistic critical density surface"

Göthel, Ilja; Bernert, Constantin; Bussmann, Michael; Garten, Marco; Miethlinger, Thomas; Rehwald, Martin; Zeil, Karl; Ziegler, Tim; Cowan, Thomas E.; Schramm, Ulrich; Kluge, Thomas

In the effort of achieving high-energetic ion beams from the interaction of ultrashort laser pulses with a plasma, volumetric acceleration mechanisms beyond Target Normal Sheath Acceleration have gained attention. A relativisticly intense laser can turn a near critical density plasma slowly...

Slice2Volume: Fusion of multimodal medical imaging and light microscopy data of irradiation-injured brain tissue in 3D.

Müller, Johannes; Suckert, Theresa; Beyreuther, Elke; Schneider, Moritz; Boucsein, Marc; Bodenstein, Elisabeth; Stolz-Kieslich, Liane; Krause, Mechthild; von Neubeck, Cläre; Haase, Robert; Lühr, Armin; Dietrich, Antje

The dataset contains comprehensive image data for a total of nine mice, which underwent normal tissue brain irradiation with 90 MeV protons.              In particular, the image data comprise cone-bem computed tomographies (CBCT), Monte Carlo beam transport simulations based on those CTs,...

6 more version(s) exist for this record

Bubble size distribution and electrode coverage at porous nickel electrodes in a novel 3-electrode flow-through cell

Rox, Hannes; Bashkatov, Aleksandr; Yang, Xuegeng; Loos, Stefan; Mutschke, Gerd; Gerbeth, Gunter; Eckert, Kerstin

Porous materials are frequently used as e.g. electrodes or porous transport layers in various types of electrolyzers. A better understanding of the bubble dynamics on porous electrodes is especially important to optimize new electrolyzer designs like membraneless electrolyzers. The developed...

HZDR Data Management Strategy — Top-Level Architecture

Knodel, Oliver; Gruber, Thomas; Kelling, Jeffrey; Lokamani, Mani; Müller, Stefan; Pape, David; Juckeland, Guido

Top-Level Architecture of the proposed HZDR Data Management Strategy with additional description of the various systems and services. 

3 more version(s) exist for this record

Data for: Spin-wave frequency combs

Hula, Tobias; Schultheiß, Katrin; Trindade Goncalves, Francisco José; Körber, Lukas; Bejarano, Mauricio; Copus, Matthew; Flacke, Luis; Liensberger, Lukas; Buzdakov, Aleksandr; Kakay, Attila; Weiler, Mathias; Camley, Robert; Faßbender, Jürgen; Schultheiß, Helmut

Data were obtained by means of Brillouin light scattering microscopy, micro magnetic simulations in MuMax3 and analytic calculations.

Data publication: Electrokinetic Janus micromotors moving on topographically flat chemical patterns

Huang, Tao; Misko, Vyacheslav; Caspari, Anja; Synytska, Alla; Ibarlucea, Bergoi; Nori, Franco; Faßbender, Jürgen; Cuniberti, Gianaurelio; Makarov, Denys; Baraban, Larysa

Uploaded data show the research discussions of the electroosmotic flows at the boundary between positive and negative surfaces .

LDOS/SNAP data for MALA: Beryllium at 298K

Fiedler, Lenz; Cangi, Attila

Beryllium data set for Machine Learning applications This dataset contains DFT inputs, outputs, LDOS data and fingerprint vectors for a beryllium cell at ambient conditions and varying sizes. Different levels of k-grid convergence were employed: -  Gamma point (gamma_point) -  total energy...

Data publication: Time-of-Flight spectroscopy for laser-driven proton beam monitoring

Reimold, Marvin; Assenbaum, Stefan; Bernert, Constantin; Beyreuther, Elke; Brack, Florian-Emanuel; Karsch, Leonhard; Kraft, Stephan; Kroll, Florian; Löser, Markus; Nossula, Alexej; Pawelke, Jörg; Püschel, Thomas; Schlenvoigt, Hans-Peter; Schramm, Ulrich; Umlandt, Marvin Elias Paul; Zeil, Karl; Ziegler, Tim; Metzkes-Ng, Josefine

This dataset contains the raw and evaluated data of the paper plus the script for plotting the results.