197 citations
- Helmholtz-Zentrum Dresden-RossendorfDE168 papers
- Technische Universität DresdenDE42 papers
- University of WrocławPL25 papers
- Christian-Albrechts-Universität zu KielDE19 papers
- University of RostockDE19 papers
- KTH Royal Institute of TechnologySE16 papers
- Sandia National LaboratoriesUS13 papers
- European X-Ray Free-Electron LaserDE11 papers
- Lawrence Livermore National LaboratoryUS11 papers
- University of OxfordGB9 papers
- Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR8 papers
- Al-Farabi Kazakh National UniversityKZ7 papers
30 papers · 1 filter
Benchmarking Exchange-Correlation Functionals in the Spin-Polarized Inhomogeneous Electron Gas under Warm Dense Conditions
Zhandos Moldabekov, Tobias Dornheim, Jan Vorberger +1
Warm dense matter is a highly active research area both at the frontier and interface of material science and plasma physics. We assess the performance of commonly used exchange-co…
Role of assortativity in predicting burst synchronization using echo state network
Mousumi Roy, Abhishek Senapati, Swarup Poria +2
In this study, we use a reservoir computing based echo state network (ESN) to predict the collective burst synchronization of neurons. Specifically, we investigate the ability of E…
Density functionals with spin-density accuracy for open shells
Timothy Callow, Benjamin Pearce, Nikitas Gidopoulos
Electrons in zero external magnetic field can be studied with density functional theory (DFT) or with spin-DFT (SDFT). The latter is normally used for open shell systems because it…
Challenges Porting a C++ Template-Metaprogramming Abstraction Layer to Directive-based Offloading
Jeffrey Kelling, Sergei Bastrakov, Alexander Debus +10
HPC systems employ a growing variety of compute accelerators with different architectures and from different vendors. Large scientific applications are required to run efficiently…
Optimized laser ion acceleration at the relativistic critical density surface
Ilja Göthel, Constantin Bernert, Michael Bussmann +8
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 Ac…
A Deep Dive into Machine Learning Density Functional Theory for Materials Science and Chemistry
Lenz Fiedler, Karan Shah, Michael Bussmann +1
With the growth of computational resources, the scope of electronic structure simulations has increased greatly. Artificial intelligence and robust data analysis hold the promise t…