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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 ...

Naturwissenschaften

Physik der kondensierten Materie
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 ...

Ingenieurwissenschaften

Materialwissenschaft
Principles of On-Surface Synthesis

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

Naturwissenschaften

Physik der kondensierten Materie
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 ...

Naturwissenschaften

Physikalische und Theoretische Chemie
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 ...

Naturwissenschaften

Physik der kondensierten Materie
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 ...

Naturwissenschaften

Physik der kondensierten Materie
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 ...

Naturwissenschaften

Physik der kondensierten Materie
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 ...

Naturwissenschaften

Physikalische und Theoretische Chemie
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 ...

Ingenieurwissenschaften

Materialwissenschaft

HKHLR - HPC Hessen

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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

Teilnehmende Universitäten

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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)