Results 271 to 280 of about 1,598,460 (356)

Symmetry and the thermodynamics of currents in open quantum systems

, 2013
Daniel Manzano, Pablo I. Hurtado
openalex   +1 more source

Nb2CBr2 MXene Monolayer as a Novel Material: A First Principle Study

Advanced Theory and Simulations, EarlyView.
Illustration of the monolayer cell, cell replicated in directions a and b, graph of optical absorption and thermodynamic potentials as a function of temperature. Abstract Niobium‐based MXenes show promising properties and applications, but have not yet been sufficiently investigated, especially with halogen surface terminations. This study investigates
Leonardo S. Barbosa, Willian O. Santos, Felix S. Costa, Edvan Moreira, David L. Azevedo   +4 more
wiley   +1 more source

Study on quantum thermalization from thermal initial states in a superconducting quantum computer. [PDF]

Sci Rep
Edo ME, Wu LA.
europepmc   +1 more source

First‐Principles Structure–Activity Relationship Insights Into Phenolic Scaffolds: QSAR Modeling and Drug‐Likeness Screening

Advanced Theory and Simulations, EarlyView.
Integrated machine learning framework for phenolic derivatives: classification (toxicity) and regression (logP) models identify top drug‐like compounds. Random Forest outperformed for toxicity, while Linear Regression best predicted logP. A weighted scoring approach prioritized five safe, lipophilicity‐optimized candidates, supporting rational ...
Houria Nacer, Sridhar Priyankha, Gopal Hema, Anouar Zerouali, Hamza Haddag, Muneerah Mogren Al Mogren, Muthuramalingam Prakash, Majdi Hochlaf   +7 more
wiley   +1 more source

Universal efficiency boost in prethermal quantum heat engines at negative temperature. [PDF]

Nat Commun
Brollo A, Del Campo A, Bastianello A.
europepmc   +1 more source

Directing the Mobility of Guest Molecules in Nanoporous Materials by Linearly Polarized Light

Advanced Science, EarlyView.
The polarization of light is introduced as a further parameter to dynamically and reversibly control the properties of a photoresponsive nanoporous material. It was used to control the mobility of the guest molecules in the pores of a metal–organic framework.
Taher Al Najjar, Chun Li, Yunzhe Jiang, Anna Mauri, Modan Liu, Abhinav Chandresh, Anemar Bruno Kanj, Dragos Mutruc, Wolfgang Wenzel, Stefan Hecht, Mariana Kozlowska, Lars Heinke   +11 more
wiley   +1 more source

On the Coupling Between Cosmological Dynamics and Quantum Behavior: A Multiscale Thermodynamic Framework. [PDF]

Entropy (Basel)
Warkentin A.
europepmc   +1 more source

Strong Proton‐Phonon Coupling Drives Fast Ion Transport in Perovskites

Advanced Science, EarlyView.
Experimental and computational phonon analysis of ABO3‐type proton conductor BaSnO3 shows that substitution on the B‐site with yttrium forms an imaginary phonon mode which is instrumental for the function as proton conductor. This overcompensates the adverse proton trapping effect of the yttrium.
Alexey Rulev, Nobumoto Nagasawa, Hongxin Wang, Vladimir Pomjakushin, Martin Kunz, Yoshitaka Yoda, Stephen P. Cramer, Qianli Chen, Artur Braun   +8 more
wiley   +1 more source

Quantum mechanics in drug design: Progress, challenges, and future frontiers. [PDF]

Commun Integr Biol
Niazi SK.
europepmc   +1 more source

Entropic Correlations of Relativistic Physics, Quantum Mechanics and Thermodynamics at Particle and Cosmological Scales

S. Suresh
openalex   +1 more source