Results 101 to 110 of about 4,883,226 (229)

Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom

npj Computational Materials
We present the electronic moment tensor potentials (eMTPs), a class of machine-learning interatomic models and a generalization of the classical MTPs, reproducing both the electronic and vibrational degrees of freedom, up to the accuracy of ab initio ...
Prashanth Srinivasan, David Demuriya, Blazej Grabowski, Alexander Shapeev   +3 more
doaj   +1 more source

Mechanistic deconvolution of BSA size variants by constrained Raman pseudo‐Voigt hard modeling during anion‐exchange chromatography

Biotechnology Progress, EarlyView.
Abstract In biopharmaceutical manufacturing, protein aggregation is a critical quality attribute, necessitating rapid and reliable analytical strategies during downstream processes like anion‐exchange chromatography (AEX). While Raman spectroscopy enables continuous monitoring of protein secondary structure, standard data‐driven regression models ...
Jakob Heyer‐Müller, Robin Schiemer, Lars Robbel, Michael Schmitt, Jürgen Hubbuch   +4 more
wiley   +1 more source

Integrating random forest-based regression kriging for analyzing spatial variability of rainfall in arid and semi-arid regions

Scientific Reports
Understanding the spatial variability of precipitation is essential for water resource management and climate adaptation, especially in arid and semi-arid regions with strong spatiotemporal heterogeneity.
Marwa Manaf, Zulfiqar Ali, Miklas Scholz
doaj   +1 more source

Assessment of Gibbs Free Energy Calculation in PI‐Controlled Heating

Chemie Ingenieur Technik, EarlyView.
For description and control of chemical processes in lab or industry thermodynamic variable Gibbs free energy provides opportunity to compare and interpret phenomena, even on a quantitative level. In a case study for PI‐controlled heating, impacts on its limits from control delay until parameter quantization are highlighted and assessed.
Jannik Dutschke, Samira Johanna Geiger, Liane Andrea Haufe, Sebastian Kaiser, Markus Seifert   +4 more
wiley   +1 more source

Predictive modeling of Cbr and compressibility in lime stabilized lateritic soil using machine learning and Pchip data augmentation

Discover Civil Engineering
This study investigated the compressibility and strength enhancement of A-2-6(0) lateritic soil, common in tropical regions, using quicklime stabilization.
Hyginus Obinna Ozioko, Emmanuel Ebube Eze   +1 more
doaj   +1 more source

Box–Behnken optimization and ANN‐ANFIS integrated modelling for transesterification using thermally activated basic oxygen furnace slag catalyst

The Canadian Journal of Chemical Engineering, EarlyView.
Abstract Global energy demand and environmental concerns have intensified the search for renewable and sustainable energy sources. This study thus, focuses on optimizing the transesterification process of waste cooking oil (WCO) using thermally activated basic oxygen furnace slag catalyst calcined at 850°C (BOF 850). The optimization and modelling were
Johra S. Ali, Hillary L. Rutto
wiley   +1 more source

Application of artificial neural network and general machine learning modelling on CO2 adsorption in moisture equilibrated South African high and medium rank coals

The Canadian Journal of Chemical Engineering, EarlyView.
Abstract This study investigates the effect of moisture on CO2 adsorption in South African coals using both experimental and machine learning approaches. Three coal samples (SL, TN, and EM) with varying ranks (RoVmr: 3.49%, 1.26%, and 0.64%, respectively) were collected from different regions of South Africa.
Kasturie Premlall, Lawrence Koech, Douw Faurie, Khanyisile Lepota   +3 more
wiley   +1 more source

An attribute-based encryption privacy-preserving algorithm for multi-return logistics and distribution targets

Discover Computing
In multi-return logistics, multiple participants are involved, each with different access rights. Various stages require the sharing and exchange of distribution target information.
Yan Liu
doaj   +1 more source

Exponentially‐constrained Gaussian mixture model for quantifying vertical development of water‐conducting fracture zones in lithologically stratified mining roofs

Deep Underground Science and Engineering, EarlyView.
This study proposes an exponentially‐constrained Gaussian mixture model (EcGMM) to quantify vertical fracture heterogeneity in stratified roof strata. The model integrates a piecewise exponential decay term capturing global stress dissipation with Gaussian components representing localized fracture intensification at lithological interfaces.
Huiqing Yuan, Zhimin Xu, Weixiao Chen, Chenghang Zhang, Shijie Xiong, Yajun Sun   +5 more
wiley   +1 more source

privateST: a feasible framework for privacy-preserving spatial transcriptomics prediction from histopathology images

Scientific Reports
Predicting spatial transcriptomics from histology images offers cost-effective insights but faces privacy barriers preventing cross-institutional data sharing.
Hakin Kim, Miran Kim, Buhm Han
doaj   +1 more source