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Intelligent control algorithms for posture and height control of four-leg hydraulic supports.
Sci Rep
January 2025
School of Emergency Management and Safety Engineering, China University of Mining & Technology, Beijing, 100083, China.
To address limitations of traditional inclinometers and height sensors in determining the posture and support height of hydraulic supports in coal mining, we propose a novel method predicated on travel measurements of the leg and tail beam cylinders. This method calculates the posture and height of hydraulic supports in mechanized mining. By conducting meticulous kinematic analysis of the hydraulic supports, a skeleton model of the main structural parameters of the hydraulic support was constructed.
View Article and Find Full Text PDFComputational Study on the Dynamics of a Bis(benzoxazole)-Based Overcrowded Alkene.
J Phys Chem A
January 2025
Department of Chemistry - Ångström Laboratory, Uppsala University, Box 523, Uppsala 751 20, Sweden.
Understanding and controlling molecular motions is of pivotal importance for designing molecular machinery and functional molecular systems, capable of performing complex tasks. Herein, we report a comprehensive theoretical study to elucidate the dynamic behavior of a bis(benzoxazole)-based overcrowded alkene displaying several coupled and uncoupled molecular motions. The benzoxazole moieties give rise to 4 different stable conformers that interconvert through single-bond rotations.
View Article and Find Full Text PDFAccelerating Fock Build via Hybrid Analytical-Numerical Integration.
J Phys Chem A
January 2025
Qingdao Institute for Theoretical and Computational Sciences and Center for Optics Research and Engineering, Shandong University, Qingdao 266237, P. R. China.
A hybrid analytical-numerical integration scheme is introduced to accelerate the Fock build in self-consistent field (SCF) and time-dependent density functional theory (TDDFT) calculations. To evaluate the Coulomb matrix [], the density matrix is first decomposed into two parts, the superposition of atomic density matrices and the rest = -. While [] is evaluated analytically, [] is evaluated fully numerically [with the multipole expansion of the Coulomb potential (MECP)] during the SCF iterations.
View Article and Find Full Text PDFExperiment-Guided Refinement of Milestoning Network.
J Chem Theory Comput
January 2025
Qingdao Institute for Theoretical and Computational Sciences, School of Chemistry and Chemical Engineering, Shandong University, Qingdao, Shandong 266237, P.R. China.
Milestoning is an efficient method for calculating rare event kinetics by constructing a continuous-time kinetic network that connects the reactant and product states. Its accuracy depends on both the quality of the underlying force fields and the trajectory sampling. The sampling error can be effectively controlled through various methods.
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