Results 201 to 210 of about 11,065 (264)

Quantum Systems on Non-$k$-Hyperfinite Complexes: A Generalization of Classical Statistical Mechanics on Expander Graphs

, 2013
Michael Freedman, M. B. Hastings
openalex   +2 more sources

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

Cognitive Activity of an Individual Under Conditions of Information Influence of Different Modalities: Model and Experimental Research. [PDF]

Entropy (Basel)
Petukhov AY, Morozov NS, Krasnitskiy NV, Petukhov YV.   +3 more
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

The Quantum Relative Entropy of the Schwarzschild Black Hole and the Area Law. [PDF]

Entropy (Basel)
Bianconi G.
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

VeloxChem Quantum-Classical Interoperability for Modeling of Complex Molecular Systems. [PDF]

J Phys Chem A
de Gracia Triviño JA, Brumboiu IE, Carrasco-Busturia D, Li X, Li C, Linares M, Lindfeld V, Rhee YM, Rune J, van Hoorn B, Norman P, Ahlquist MSG.   +11 more
europepmc   +1 more source

Modeling Electrical Transport in Random Networks Composed of Metal‐Oxide Nanowires: The Transition from Junction‐Dominated to Nanowire‐Dominated Regime

Advanced Theory and Simulations, EarlyView.
This study proposes a model for the electrical transport properties of random networks of metal oxide nanowires. Based on the characteristic lengths and energies of nanowires, it allows for discussing the transition from the junction‐dominated to the nanowire‐dominated transport regime.
Andrea Ponzoni
wiley   +1 more source

Machine Learning-Enhanced Calculation of Quantum-Classical Binding Free Energies. [PDF]

J Chem Theory Comput
Bensberg M, Eckhoff M, Thomasen FE, Bro-Jørgensen W, Teynor MS, Sora V, Weymuth T, Husistein RT, Knudsen FE, Krogh A, Lindorff-Larsen K, Reiher M, Solomon GC.   +12 more
europepmc   +1 more source

Integrative Omics Reveals Glutamine Catabolism‐Driven Apoptotic Suppression in Monocytes upon Mechanical Unloading

Advanced Science, EarlyView.
This research integrated multi‐omics analysis of bone tissue from HLU and control mice revealed that mechanical unloading suppresses intrinsic apoptosis and augments glutamine (Gln) catabolism in osteoclast lineage cells. The findings highlight pivotal roles for SLC1A5‐mediated Gln metabolism and XIAP/Diablo axis‐mediated apoptosis suppression.
Yi Ding, Fan Tong, Mingqiu Liu, Pin Yang, Jing Zeng, Yinghua Wei, Chunlin Li, Dong Li, Cheng Chang, Yangjun Zhang, Shaoqiong Yi, Fan Hu, Wenjie Shu, Lingqiang Zhang, Chun‐Ping Cui   +14 more
wiley   +1 more source