Results 171 to 180 of about 491,707 (327)

Design of Thermodynamically Stable Lead‐Free Cs2InCuCl6 Double Perovskite Solar Cells

Advanced Theory and Simulations, EarlyView.
Lead‐free Cs₂InCuCl₆ double perovskite (CICC) is explored as a solar absorber via SCAPS simulations. Device optimization of absorber thickness, defect densities, and interface kinetics with HTL/ETL materials reveals promising power conversion efficiency.
Luong Thien Bao Pham, Naveen Kumar Elumalai, Pranta Barua, Kiran Sreedhar Ram, Hooman Mehdizadeh‐Rad, Kannoorpatti Krishnan   +5 more
wiley   +1 more source

Editorial: Interdisciplinary synergies in neuroinformatics, cognitive computing, and computational neuroscience. [PDF]

Front Comput Neurosci
Deb N, Khan Z, Sulaiman M, Abu Bakar M.
europepmc   +1 more source

Excitation Energy Transfer between Porphyrin Dyes on a Clay Surface: A Study Employing Multifidelity Machine Learning

Advanced Theory and Simulations, EarlyView.
Inspired by natural light‐harvesting systems, this study computationally investigates a synthetic antenna by arranging cationic free‐base porphyrin molecules on an anionic clay surface. Using a multiscale quantum mechanics/molecular mechanics (QM/MM) approach combined with a multifidelity machine learning method, excitation energies are predicted ...
Dongyu Lyu, Vivin Vinod, Matthias Holzenkamp, Yannick Marcel Holtkamp, Sayan Maity, Carlos R. Salazar, Ulrich Kleinekathöfer, Peter Zaspel   +7 more
wiley   +1 more source

Research on group type theory and its functorial semantic models in category logic. [PDF]

PLoS One
Tang JG, Aishan Y, Liu JY, Peng JY.
europepmc   +1 more source

Assessment and Comparative Study of Free and Commercial Numerical Software Packages for Lithium‐Ion Battery Modeling

Advanced Theory and Simulations, EarlyView.
This study evaluates the simulation capabilities of lithium‐ion battery (LIB) electrochemical simulation software packages. The benchmark simulation results reveal the impacts of parameter sensitivity to solver performance and stability. The guidelines to troubleshooting common solver failures at high current rates lowers the steep learning curve to ...
Kenneth C. Nwanoro, Michael P. Mercer, Harry E. Hoster   +2 more
wiley   +1 more source

Multi-objective production scheduling optimization strategy based on fuzzy mathematics theory. [PDF]

PLoS One
Shen H.
europepmc   +1 more source

Energy Symmetry Breaking of Dirac and Weyl Fermions in Magnetized Spinning Conical Geometries

Advanced Theory and Simulations, EarlyView.
Exact solutions for relativistic fermions in magnetized, spinning conical geometries reveal defect‐induced symmetry breaking between fermion and antifermion energies. Energy levels depend on the magnetic field, background geometry, and fractionalized spin. When the defect's spin dominates, quantum effects diminish.
Abdullah Guvendi, Omar Mustafa
wiley   +1 more source

Topological modeling and QSPR based prediction of physicochemical properties of bioactive polyphenols. [PDF]

Sci Rep
Hakeem A, Ullah A, Zaman S, Mahmoud EE, Ahmad H, Ali P, Belay MB.   +6 more
europepmc   +1 more source

Approximation Theory, Computational Mathematics and Numerical Analysis in new conception of Computational (Numerical) Diameter

, 2018
N. Temirgaliyev, А. Ж. Жубанышева   +1 more
openalex   +1 more source

Prediction of Microstructural Representativity From A Single Image

Advanced Science, EarlyView.
Accurately estimating the reliability of phase fraction measurements from limited microstructural data remains a key challenge and is rarely reported for this reason. ImageRep addresses the problem by adapting the Two‐Point Correlation function to assess representativity from a single image.
Amir Dahari, Ronan Docherty, Steve Kench, Samuel J. Cooper   +3 more
wiley   +1 more source