Results 101 to 110 of about 61,199 (270)

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

The Synergism of β‐Cyclodextrin and Fe3+ Enabled Anti‐Swelling Ion‐Conductive Hydrogels for Multimodal Underwater Sensing Aided by Machine Learning Algorithms

Advanced Science, EarlyView.
An anti‐swelling ion‐conductive hydrogel is developed via β‐cyclodextrin and Fe3+ synergism, enabling reliable underwater motion sensing and Morse code communication. Integrated with machine learning, the system achieves 98.6% accuracy in real‐time underwater handwriting recognition for rapid information transmission.
Hao Dong, Chuanliu Liu, Yiming Luo, Dongyu Si, Menghan Zhao, Fangyu Zhao, Yixue Zhang, Wei Zeng, Eman Ramadan Elsharkawy, Terence Xiaoteng Liu, Zeinhom M. El‐Bahy, Hua Hou, Zhanhu Guo, Huige Wei   +13 more
wiley   +1 more source

Nonequilibrium thermodynamics of uncertain stochastic processes

Physical Review Research
Stochastic thermodynamics is formulated under the assumption of perfect knowledge of all thermodynamic parameters. However, in any real-world situation, there is nonzero uncertainty about the precise value of temperatures, chemical potentials, energy ...
Jan Korbel, David H. Wolpert
doaj   +1 more source

Thermodynamics Beyond Molecules: Statistical Thermodynamics of Probability Distributions

Entropy, 2019
Statistical thermodynamics has a universal appeal that extends beyond molecular systems, and yet, as its tools are being transplanted to fields outside physics, the fundamental question, what is thermodynamics, has remained unanswered.
Themis Matsoukas
doaj   +1 more source

Stochastic thermodynamics of entropic transport

, 2012
Seifert derived an exact fluctuation relation for diffusion processes using the concept of "stochastic system entropy". In this note we extend his formalism to entropic transport.
Smerlak, Matteo
core  

Open system trajectories specify fluctuating work but not heat

, 2016
Based on the explicit knowledge of a Hamiltonian of mean force, the classical statistical mechanics and equilibrium thermodynamics of open systems in contact with a thermal environment at arbitrary interaction strength can be formulated.
Hänggi, Peter, Talkner, Peter
core   +1 more source

Stochastic Thermodynamic Interpretation of Information Geometry [PDF]

Physical Review Letters, 2018
13 pages, 3 ...
openaire   +3 more sources

Robust and Thermally Stable Silicone Aerogels with Hyperconnected Network via Kinetically Optimized Hyperbranched Silane Precursors

Advanced Science, EarlyView.
Reactivity‐Programmed Assembly: A kinetic‐control strategy is reported for constructing hyperconnected silicone aerogels with a robust “thick‐neck” architecture. By exploiting the reactivity disparity of precursors, flexible segments are uniformly embedded within a rigid skeleton.
Aoqing Yan, Guixiang Li, Yaolan Li, Yi Luo, Bin Liu, Zhe Su, Hao Tian, Wei Shi, Bo Niu, Donghui Long   +9 more
wiley   +1 more source

Irreversible Thermodynamics in Multiscale Stochastic Dynamical Systems

, 2011
This work extends the results of the recently developed theory of a rather complete thermodynamic formalism for discrete-state, continuous-time Markov processes with and without detailed balance.
Hong Qian, M. C. Mackey, Moisés Santillán, S. R. de Groot   +3 more
core   +1 more source

Operational approach to quantum stochastic thermodynamics [PDF]

Physical Review E, 2019
Post-final version with Eq.
openaire   +3 more sources