Results 121 to 130 of about 926,631 (217)
Metallic Lithium by Quantum Monte Carlo [PDF]
, 1987 Lithium was chosen as the simplest known metal for the first application of quantum Monte Carlo methods in order to evaluate the accuracy of conventional one-electron band theories. Lithium has been extensively studied using such techniques. The KKR method [l], the linear muffin tin orbital method (LMTO) [2], the augmented spherical wave method (ASW ...
Sugiyama, G., Zerah, G., Alder, B. J.
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Advanced Intelligent Systems, EarlyView.This research presents a machine learning approach integrating Berkeley short‐channel IGFET model‐common multigate models with an error‐correction neural network to expedite accurate compact model generation for semiconductor devices. Utilizing a hypernetwork, the method eliminates time‐consuming and laborsome parameter tuning and allows simultaneous ...
Seungjoon Eom +5 more
wiley +1 more source
, 2020 119 pages, 6 figures; broadened the notion of a strongly frustration-free Hamiltonian to a more general concept of separately frustration-free (SFF ...
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Generative Inverse Design of Metamaterials with Functional Responses by Interpretable Learning
Advanced Intelligent Systems, EarlyView.This work introduces random‐forest‐based interpretable generative inverse design (RIGID), a new single‐shot inverse design method for metamaterials using interpretable machine learning and Markov chain Monte Carlo sampling. Once trained on a small dataset, RIGID can estimate the likelihood of designs achieving target behaviors (e.g., wave‐based ...
Wei (Wayne) Chen +4 more
wiley +1 more source
Structure of a DNA‐Stabilized Ag16Cl2 Nanocluster in Solution
Angewandte Chemie, EarlyView.X‐ray total scattering and pair distribution function analysis are used to determine the first solution‐state structure of a DNA‐stabilized Ag nanocluster. Abstract We determine the first solution‐state structure of a DNA‐stabilized Ag16Cl2 nanocluster using X‑ray total scattering and pair distribution function analysis.
Adam F. Sapnik +4 more
wiley +2 more sources
Quantum Monte Carlo calculations for light nuclei [PDF]
Nuclear Physics A, 1997 Quantum Monte Carlo calculations of ground and low-lying excited states for nuclei with A {le} 8 have been made using a realistic Hamiltonian that fits NN scattering data. Results for more than two dozen different (J{sup {pi}}, T) p-shell states, not counting isobaric analogs, have been obtained.
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Machine Learning‐Assisted Simulations and Predictions for Battery Interfaces
Advanced Intelligent Systems, EarlyView.This review summarizes machine learning (ML)‐assisted simulations and predictions at battery interfaces. It highlights how employing ML algorithms with machine vision, enables the lithium dendrite growth simulation, the solid–electrolyte interphase formation, and other interfacial dynamics.
Zhaojun Sun +4 more
wiley +1 more source
Angewandte Chemie, EarlyView.Polyelemental nanoparticles, composed of four or more elements, encompass high‐entropy alloys, high‐entropy intermetallics, and multiphase structures such as Janus and core‐shell architectures. These nanoparticles were obtained through the thermal transformation of colloidally synthesized core‐shell nanoparticles. Systematic variations in stoichiometry
Nabojit Kar +4 more
wiley +2 more sources
Deep Q‐Network‐Based Hierarchical Path Planning of a Biped Wall‐Climbing Robot for Window Cleaning
Advanced Intelligent Systems, EarlyView.This article presents a biped wall‐cleaning climbing robotic system for the maintenance of multi‐isolated areas on exoskeleton‐structured windows (ESWs). A full coverage cleaning approach is proposed by integrating a deep Q‐network‐based method with the robotic system to address the complete coverage cleaning path planning problem.
Weijian Zhang +3 more
wiley +1 more source
Conformation control of triplet state diffusion in platinum containing polyfluorene copolymers
Journal of Polymer Science, Volume 61, Issue 1, Page 83-93, 1 January 2023., 2023 Abstract The spectral diffusion of singlet and triplet excitons in 9,9‐dioctylfluorene‐based conjugated copolymers is investigated using photoluminescence spectroscopy at both low (5 K) and room temperature (300 K). Inclusion of a N,N‐diphenyl‐4‐(pyridin‐2‐yl)aniline moiety into the polymer backbone allows subsequent cyclometalation with platinum ...
Nikol T. Lambeva +6 more
wiley +1 more source