Results 21 to 30 of about 11,200,517 (250)

Representing individual electronic states for machine learning GW band structures of 2D materials

Nature Communications, 2022
The study introduces novel methods for representing electronic states as input to machine learning models, which is used to learn high-fidelity band structures of two-dimensional materials from low- fidelity input.
Nikolaj Rørbæk Knøsgaard, Kristian Sommer Thygesen   +1 more
doaj   +1 more source

Computational design towards energy efficient optimization in overconstrained robotic limbs

, 2023
Legged robots are constantly evolving, and energy efficiency is a major driving factor in their design. However, combining mechanism efficiency and trajectory planning can be challenging.
Wang, Ziqian, Feng, Shihao, Shihao Feng, Fang Wan, Sun, Haoran, Lu, Haibo, Song, Chaoyang, Gu, Yuping, Wan, Fang, Haoran Sun, Yuping Gu, Haibo Lu, Chaoyang Song, Pan, Jia, Ziqian Wang, Jia Pan   +15 more
core   +1 more source

360-Degree Tri-Modal Scanning: Engineering a Modular Multi-Sensor Platform for Semantic Enrichment of BIM Models [PDF]

ISPRS Annals of the Photogrammetry, Remote Sensing and Spatial Information Sciences
Point clouds, image data, and corresponding processing algorithms are intensively investigated to create and enrich Building Information Models (BIM) with as-is information and maintain their value across the building lifecycle.
F. C. Collins, F. Noichl, M. Slepicka, G. Cones, A. Borrmann   +4 more
doaj   +1 more source

A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD

Journal of Cheminformatics, 2017
In order to make results of computational scientific research findable, accessible, interoperable and re-usable, it is necessary to decorate them with standardised metadata. However, there are a number of technical and practical challenges that make this
Andrius Merkys, Nicolas Mounet, Andrea Cepellotti, Nicola Marzari, Saulius Gražulis, Giovanni Pizzi   +5 more
doaj   +1 more source

An Exploratory Study of Value-added Applications for Yu-Shian Deng's Digital Archive: A Case Study of Cultural Product Design [PDF]

Journal of Library and Information Studies, 2010
Mr. Yu-Shian Deng, esteemed as the Father of Taiwan Music, composed numerous well-known folk songs that are considered as the milestones of the Taiwan music history.
Yu-Cheng Chuang, Don-Han Yung
doaj  

cell2mol: encoding chemistry to interpret crystallographic data

npj Computational Materials, 2022
The creation and maintenance of crystallographic data repositories is one of the greatest data-related achievements in chemistry. Platforms such as the Cambridge Structural Database host what is likely the most diverse collection of synthesizable ...
Sergi Vela, Ruben Laplaza, Yuri Cho, Clémence Corminboeuf   +3 more
doaj   +1 more source

Impact of Chemical Fluctuations on Stacking Fault Energies of CrCoNi and CrMnFeCoNi High Entropy Alloys from First Principles

Entropy, 2018
Medium and high entropy alloys (MEAs and HEAs) based on 3d transition metals, such as face-centered cubic (fcc) CrCoNi and CrMnFeCoNi alloys, reveal remarkable mechanical properties.
Yuji Ikeda, Fritz Körmann, Isao Tanaka, Jörg Neugebauer   +3 more
doaj   +1 more source

Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +1 more source

Introducing Experience Goals into Packaging Design [PDF]

, 2016
Consumer experiences are an increasingly important driving force for commerce, affecting also packaging design. Yet, experience design for packages is rarely studied.
Roto, Virpi, Virpi Roto, Markus Joutsela, Joutsela, Markus   +3 more
core   +1 more source

High-throughput computational stacking reveals emergent properties in natural van der Waals bilayers

Nature Communications
Stacking of two-dimensional (2D) materials has emerged as a facile strategy for realising exotic quantum states of matter and engineering electronic properties.
Sahar Pakdel, Asbjørn Rasmussen, Alireza Taghizadeh, Mads Kruse, Thomas Olsen, Kristian S. Thygesen   +5 more
doaj   +1 more source