Results 201 to 210 of about 1,825,425 (354)

In Search of Structure’ Links Across Length Scales: Crossover Among Structural Motifs, Energetics, and Magic Systems in Subnanometer Transition Metals Clusters

Small Structures, EarlyView.
Evolution of structural motifs of transition metal systems from tetramers and hexamers to bulk phases is studied. Clusters of transition metal (TM) elements are becoming increasingly important in our daily lives for a wide ensemble of applications in catalysis and bio‐fields, for health, energy and environmental problems.
Ernesto Garcia‐Alfonso, Thantip Roongcharoen, Piotr Zuchowski, Alessandro Fortunelli   +3 more
wiley   +1 more source

A Max-Flow Approach to Random Tensor Networks. [PDF]

Entropy (Basel)
Fitter K, Loulidi F, Nechita I.
europepmc   +1 more source

Nonlocal Mechanical Metamaterials Enabling Soliton Mode Conversion

Small Structures, EarlyView.
A mechanical metamaterial (MM) system with nonlocal interactions is presented, where elastic (nontopological) solitons encountering a boundary defect undergo mode conversion and generate backward‐propagating topological solitons. This finding reveals a new mechanism for soliton dynamics in nonlocal systems, offering insights into energy transport, wave
Liang Bai, Ying Li, Yunlong Wang, Jie Sun, Tianzhi Yang   +4 more
wiley   +1 more source

The impact of quantum circuit architecture and hyperparameters on variational quantum algorithms exemplified in the electronic structure of the GaAs crystal. [PDF]

Sci Rep
Miháliková I, Krejčí M, Friák M.
europepmc   +1 more source

Path Integral and Effective Hamiltonian in Loop Quantum Cosmology

, 2011
Haiyun Huang, Yongge Ma, Qin Li
openalex   +2 more sources

Ab Initio Benchmarking on Unsupported and Coronene‐Supported Silver Atomic Clusters: Interplay Between Jahn–Teller Distortions and Fluxionality

Small Structures, EarlyView.
The article presents a benchmark study using state‐of‐the‐art high‐level ab initio methodologies to predict infrared and Raman frequencies of subnanometric metal clusters. The importance of characterizing conical intersections in their potential energy landscapes is also highlighted, with the associated (Pseudo‐)Jahn–Teller distortions of cluster ...
Katarzyna M. Krupka, Berta Fernández, María Pilar de Lara‐Castells   +2 more
wiley   +1 more source

On Free Energy Calculations in Drug Discovery. [PDF]

Acc Chem Res
Ghidini A, Serra E, Cavalli A.
europepmc   +1 more source

Generation of tunable dual X‐ray pulses in synchrotron light sources

Journal of Synchrotron Radiation, EarlyView.
A novel method employing a double RF system and transverse deflecting cavities is proposed to generate tunable double X‐ray pulses with adjustable transverse separation and time delay in electron storage rings. This approach offers new experimental possibilities such as X‐ray pump and X‐ray probe studies.Synchrotron light sources are powerful platforms
Jingye Xu, Haisheng Xu, Na Wang
wiley   +1 more source

The Hamiltonian Path Graph is Connected for Simple $s,t$ Paths in Rectangular Grid Graphs

, 2022
Rahnuma Islam Nishat, Venkatesh Srinivasan, Sue Whitesides   +2 more
openalex   +2 more sources

Quantum Elastica. [PDF]

Entropy (Basel)
Geiger D, Werman M.
europepmc   +1 more source