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The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture, and is central to modern electronic structure theory. It also underpins the computation…

Materials Science · Physics 2021-01-04 Chiheb Ben Mahmoud , Andrea Anelli , Gábor Csányi , Michele Ceriotti

The photonic density of states (PDOS), like its' electronic coun- terpart, is one of the key physical quantities governing a variety of phenom- ena and hence PDOS manipulation is the route to new photonic devices. The PDOS is conventionally…

The electromagnetic local density of states (LDOS) is crucial to many aspects of photonics engineering, from enhancing emission of photon sources to radiative heat transfer and photovoltaics. We present a framework for evaluating upper…

We introduce machine learning (ML) models that predict the electronic structure of materials across a wide temperature range. Our models employ neural networks and are trained on density functional theory (DFT) data. Unlike most other ML…

Materials Science · Physics 2023-10-02 Lenz Fiedler , Normand A. Modine , Kyle D. Miller , Attila Cangi

In the last few years several ``universal'' interatomic potentials have appeared, using machine-learning approaches to predict energy and forces of atomic configurations with arbitrary composition and structure, with an accuracy often…

Modern laboratory techniques like ultrafast laser excitation and shock compression can bring matter into highly nonequilibrium states with complex structural transformation, metallization and dissociation dynamics. To understand and model…

Computational Physics · Physics 2022-05-24 Qiyu Zeng , Bo Chen , Xiaoxiang Yu , Shen Zhang , Dongdong Kang , Han Wang , Jiayu Dai

Gas phase density-functional theory (DFT) and time-dependent DFT (TD-DFT) calculations are reported for a data base of 98 ruthenium(II) polypyridine complexes. Comparison with X-ray crystal geometries and with experimental absorption…

Chemical Physics · Physics 2023-11-06 Denis Magero , Mark E. Casida , George Amolo , Nicholas Makau , Lusweti Kituyi

The density of states (DOS) is a spectral property of crystalline materials, which provides fundamental insights into various characteristics of the materials. While previous works mainly focus on obtaining high-quality representations of…

Materials Science · Physics 2023-11-27 Namkyeong Lee , Heewoong Noh , Sungwon Kim , Dongmin Hyun , Gyoung S. Na , Chanyoung Park

We present low-dimensional functionalization and characterization of electron density of states (DOS) using highly correlated/precisely guided proton beam trajectories and a silicon nanocrystal as a target, representing at a same time a…

Quantum Physics · Physics 2015-04-21 Vesna Berec

Electronic density of states (DOS) is a key factor in condensed matter physics and material science that determines the properties of metals. First-principles density-functional theory (DFT) calculations have typically been used to obtain…

Materials Science · Physics 2019-04-12 Byung Chul Yeo , Donghun Kim , Chansoo Kim , Sang Soo Han

We propose a method to probe the local density of states (LDOS) of atomic systems that provides both spatial and energy resolution. The method combines atomic and tunneling techniques to supply a simple, yet quantitative and operational,…

Mesoscale and Nanoscale Physics · Physics 2018-11-22 Daniel Gruss , Chih-Chun Chien , Julio Barreiro , Massimiliano Di Ventra , Michael Zwolak

Electronic density of states (DOS) plays a crucial role in determining and understanding materials properties. We investigate the machine learnability of additive atomic contributions to electronic DOS, focusing on atom-projected DOS rather…

Materials Science · Physics 2025-08-26 A. Aryanpour , Ali Sadeghi

The density of states (DOS) is a spectral property of materials, which provides fundamental insights on various characteristics of materials. In this paper, we propose a model to predict the DOS by reflecting the nature of DOS: DOS…

Machine Learning · Computer Science 2023-04-11 Namkyeong Lee , Heewoong Noh , Sungwon Kim , Dongmin Hyun , Gyoung S. Na , Chanyoung Park

We investigated numerically the relationship between the lasing threshold, the density of states (DOS), and field localization in 1D photonic crystals (PC) for off-axis laser action. The angular dependence of the corresponding quantities…

Optics · Physics 2023-05-17 N. A. Vanyushkin , A. H. Gevorgyan

The electronic density of states (DOS) provides information regarding the distribution of electronic energy levels in a material, and can be used to approximate its optical and electronic properties and therefore guide computational…

Short-pulse intense lasers have the potential to model extreme astrophysical environments in laboratories. Although there are diagnostics for energetic electrons and ions resulting from laser-plasma interactions, the diagnostics to measure…

We present experimental evidence for the different mechanisms driving the fluctuations of the local density of states (LDOS) in disordered photonic systems. We establish a clear link between the microscopic structure of the material and the…

Disordered Systems and Neural Networks · Physics 2017-08-02 F. Riboli , F. Uccheddu , G. Monaco , N. Caselli , F. Intonti , M. Gurioli , S. E. Skipetrov

A comprehensive approach for simulating lasing dynamics in a liquid crystal based laser is presented. The approach takes into account the transformation of the liquid crystal structure caused by applied voltage. In particular, it allows us…

Electrochemical energy systems rely on particulate porous electrodes to store or convert energies. While the three-dimensional porous structures were introduced to maximize the interfacial area for better overall performance of the system,…

Applied Physics · Physics 2021-02-16 Shubham Agrawal , Peng Bai

Visualizing the electron dynamics in four dimensions of space and time is crucial to the understanding of several ubiquitous processes in nature. Hence, ultrafast X-ray and electron imaging tools have been developed to probe the dynamics of…

Mesoscale and Nanoscale Physics · Physics 2024-11-26 Mingrui Yuan , Nikolay V. Golubev
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