Results 1 to 10 of about 2,103,567 (340)

Gradient type optimization methods for electronic structure calculations [PDF]

, 2013
The density functional theory (DFT) in electronic structure calculations can be formulated as either a nonlinear eigenvalue or direct minimization problem.
Xin Zhang, Jinwei Zhu, Zaiwen Wen, Aihui Zhou   +3 more
openalex   +3 more sources

Neural Network Structure Optimization by Simulated Annealing [PDF]

Entropy, 2022
A critical problem in large neural networks is over parameterization with a large number of weight parameters, which limits their use on edge devices due to prohibitive computational power and memory/storage requirements.
Chun Lin Kuo, Ercan Engin Kuruoglu, Wai Kin Victor Chan   +2 more
doaj   +2 more sources

Variation of Net Carbon Emissions from Land Use Change in the Beijing-Tianjin-Hebei Region during 1990–2020

Land, 2022
Global increasing carbon emissions have triggered a series of environmental problems and greatly affected the production and living of human beings. This study estimated carbon emissions from land use change in the Beijing-Tianjin-Hebei region during ...
Haiming Yan, Xin Guo, Shuqin Zhao, Huicai Yang   +3 more
doaj   +1 more source

Optimal sound-absorbing structures [PDF]

Materials Horizons, 2017
Absorption by design, with minimal sample thickness allowed by the law of nature, can now be realized by using a design recipe that incorporates the causal constraint of acoustic response as a crucial element.
Min Yang, Shuyu Chen, Caixing Fu, Ping Sheng   +3 more
openaire   +4 more sources

Rational Design of Monolithic g-C₃N₄ with Floating Network Porous-like Sponge Monolithic Structure for Boosting Photocatalytic Degradation of Tetracycline under Simulated and Natural Sunlight Illumination

Molecules, 2023
In order to solve the problems of powder g-C3N4 catalysts being difficult to recycle and prone to secondary pollution, floating network porous-like sponge monolithic structure g-C3N4 (FSCN) was prepared with a one-step thermal condensation method using ...
Delu Cao, Xueying Wang, Hefan Zhang, Daiqiong Yang, Ze Yin, Zhuo Liu, Changyu Lu, Feng Guo   +7 more
doaj   +1 more source

Structure‐guided forcefield optimization [PDF]

Proteins: Structure, Function, and Bioinformatics, 2011
AbstractAccurate modeling of biomolecular systems requires accurate forcefields. Widely used molecular mechanics (MM) forcefields obtain parameters from experimental data and quantum chemistry calculations on small molecules but do not have a clear way to take advantage of the information in high‐resolution macromolecular structures.
Song, Yifan, Tyka, Michael, Leaver-Fay, Andrew, Thompson, James, Baker, David   +4 more
openaire   +2 more sources

Boosted Tetracycline and Cr(VI) Simultaneous Cleanup over Z-Scheme WO₃/CoO p-n Heterojunction with 0D/3D Structure under Visible Light

Molecules, 2023
In this study, a Z-Scheme WO3/CoO p-n heterojunction with a 0D/3D structure was designed and prepared via a simple solvothermal approach to remove the combined pollution of tetracycline and heavy metal Cr(VI) in water. The 0D WO3 nanoparticles adhered to
Changyu Lu, Delu Cao, Hefan Zhang, Luning Gao, Weilong Shi, Feng Guo, Yahong Zhou, Jiahao Liu   +7 more
doaj   +1 more source

Analysis and Optimization of Mixing Performance of the High-Temperature Gas Flow in a Mixing Chamber [PDF]

Journal of Applied Fluid Mechanics, 2023
A high-temperature gas mixing chamber is a type of mechanical device which has been widely used to obtain airflow at a specific high temperature. When a temperature environment test for aviation equipment is performed, the airflow temperature should ...
J. Chu, D. Zhu, W. Wang, B. Li, J. Du, G. Yang   +5 more
doaj   +1 more source

Hydrochemical Characteristics and Formation Mechanism of Strontium-Rich Groundwater in Shijiazhuang, North China Plain

Journal of Chemistry, 2021
Strontium is a kind of trace element. Groundwater containing strontium is called mineral water when its content reaches a level that is beneficial for human physiology. Some groundwater resources in Shijiazhuang are rich in strontium.
Duo Li, Shuang Gan, Junfeng Li, Zihan Dong, Qi Long, Shuwei Qiu, Yahong Zhou, Changyu Lu   +7 more
doaj   +1 more source

Spatiotemporal coastline variations in the Pearl River Estuary and the relationship with multiple human disturbances

Frontiers in Marine Science, 2022
Coastlines and estuaries as one of the most dynamic systems in the marine environment are influenced by not only natural factors but also various anthropogenic activities, but there have been limited comprehensive studies on the relationship between ...
Xin Li, Haiming Yan, Ying Yang, Zhihao Xu, Huicai Yang   +4 more
doaj   +1 more source