Projects

Hessian scientists of various disciplines are using High Performance Computers for their research.

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Projekte

Displaying 1 - 9 of 9

First-Principles Calculations of Spectroscopic Signatures III

Linking experimental and theoretical observations on a physical system is one of the key objectives of modern science ...

Natural Sciences

Theoretical Condensed Matter Physics
Atomic Scale Modeling of Coherent Phase Transitions in Energy Storage Materials

Hydrogen has emerged as a crucial element in the pursuit of decarbonization and the transition to a sustainable energy ...

Engineering Sciences

Materials Science
Principles of On-Surface Synthesis

In the past centuries chemists have established a solid knowledge for the synthesis of molecules in solution. With the ...

Natural Sciences

Theoretical Condensed Matter Physics
Structure Optimization, Dielectric and Magnetic Properties of Pure Silicon as well as Iron-Doped Silicon and Tin Clusters

The previous investigation of Sn_N clusters with N = 6−40 showed that below a clusters size of about 30 atoms, a prolate ...

Natural Sciences

Physical and Theoretical Chemistry
First-Principles Calculations of Spectroscopic Signatures II

Linking experimental and theoretical observations on a physical system is one of the key objectives of modern science ...

Natural Sciences

Theoretical Condensed Matter Physics
High-Throughput Discovery of Mab and Mbene Superconductors

We survey the landscape of MAB and Mbene superconductors out of our previous high-throughput predictions using first ...

Natural Sciences

Theoretical Condensed Matter Physics
Optical Response of (Hetero)Adamantine Clusters

White light generation (WLG) is one of the most puzzling and exciting topics in nonlinear optics. Strictly speaking, WLG ...

Natural Sciences

Theoretical Condensed Matter Physics
Optical Spectroscopy, Dielectric Properties and Structure Discrimination of Sn_N (20 ≤ N ≤ 40)

The previous investigation of neutral Sn_N clusters with N = 6 - 20 showed that for clusters with N ≤ 15 prolate ...

Natural Sciences

Physical and Theoretical Chemistry
Reinforcement of High-Entropy Metallic Glasses: A Molecular Dynamics Study

Since their invention in the 1960s, metallic glasses (MGs) gained great attention due to their high strength and elastic ...

Engineering Sciences

Materials Science

HKHLR - HPC Hessen

Projects

Projects

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Projekte

First-Principles Calculations of Spectroscopic Signatures III

Atomic Scale Modeling of Coherent Phase Transitions in Energy Storage Materials

Principles of On-Surface Synthesis

Structure Optimization, Dielectric and Magnetic Properties of Pure Silicon as well as Iron-Doped Silicon and Tin Clusters

First-Principles Calculations of Spectroscopic Signatures II

High-Throughput Discovery of Mab and Mbene Superconductors

Optical Response of (Hetero)Adamantine Clusters

Optical Spectroscopy, Dielectric Properties and Structure Discrimination of Sn_N (20 ≤ N ≤ 40)

Reinforcement of High-Entropy Metallic Glasses: A Molecular Dynamics Study

Participating Universities

First-Principles Calculations of Spectroscopic Signatures III

Atomic Scale Modeling of Coherent Phase Transitions in Energy Storage Materials

Principles of On-Surface Synthesis

Structure Optimization, Dielectric and Magnetic Properties of Pure Silicon as well as Iron-Doped Silicon and Tin Clusters

First-Principles Calculations of Spectroscopic Signatures II

High-Throughput Discovery of Mab and Mbene Superconductors

Optical Response of (Hetero)Adamantine Clusters

Optical Spectroscopy, Dielectric Properties and Structure Discrimination of SnN (20 ≤ N ≤ 40)

Reinforcement of High-Entropy Metallic Glasses: A Molecular Dynamics Study

Optical Spectroscopy, Dielectric Properties and Structure Discrimination of Sn_N (20 ≤ N ≤ 40)