Results 11 to 20 of about 15,565,753 (347)

Open quantum system dynamics and the mean force Gibbs state [PDF]

open access: yesAVS Quantum Science, 2021
The dynamical convergence of a system to the thermal distribution, or Gibbs state, is a standard assumption across all of the physical sciences. The Gibbs state is determined just by temperature and energies of the system.
A. Trushechkin   +3 more
semanticscholar   +1 more source

Weak and Ultrastrong Coupling Limits of the Quantum Mean Force Gibbs State. [PDF]

open access: yesPhysical Review Letters, 2021
The Gibbs state is widely taken to be the equilibrium state of a system in contact with an environment at temperature T. However, non-negligible interactions between system and environment can give rise to an altered state.
J. D. Cresser, J. Anders
semanticscholar   +1 more source

MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields [PDF]

open access: yesNeural Information Processing Systems, 2022
Creating fast and accurate force fields is a long-standing challenge in computational chemistry and materials science. Recently, several equivariant message passing neural networks (MPNNs) have been shown to outperform models built using other approaches
Ilyes Batatia   +4 more
semanticscholar   +1 more source

Polymer Mechanochromism from Force-Tuned Excited-State Intramolecular Proton Transfer.

open access: yesJournal of the American Chemical Society, 2022
Real-time monitoring of strain/stress in polymers is a big challenge to date. Herein, we for the first time report an ESIPT (excited-state intramolecular proton transfer)-based mechanochromic mechanophore (MM).
Huan Hu   +4 more
semanticscholar   +1 more source

Vehicle state and tyre force estimation: demonstrations and guidelines

open access: yesVehicle System Dynamics, 2021
This paper presents an in-depth analysis of the application of different techniques for vehicle state and tyre force estimation using the same experimental data and vehicle models, except for the tyre models.
Marco Viehweger   +10 more
semanticscholar   +1 more source

Loss of QKI in macrophage aggravates inflammatory bowel disease through amplified ROS signaling and microbiota disproportion

open access: yesCell Death Discovery, 2021
Inflammatory bowel disease (IBD) is a refractory chronic inflammatory illness of the gastrointestinal (GI) tract. Macrophage exerts an important role in IBD development. QKI, as an RNA binding protein, was related with inflammatory responses in bacterial
Wenwen Wang   +13 more
doaj   +1 more source

Pre-ceramic polymer-assisted nucleation and growth of copper sulfide nanoplates

open access: yesCommunications Materials, 2023
Polymer-derived ceramics derived from pre-ceramic polymers (PCPs), have access to several form factors and are highly tunable systems. Tunability can be further expanded with the incorporation of functional nanoparticle fillers throughout the matrix for ...
Patricia A. Loughney   +7 more
doaj   +1 more source

SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects [PDF]

open access: yesNature Communications, 2021
Machine-learned force fields combine the accuracy of ab initio methods with the efficiency of conventional force fields. However, current machine-learned force fields typically ignore electronic degrees of freedom, such as the total charge or spin state,
Oliver T. Unke   +5 more
semanticscholar   +1 more source

Force-induced stretched state: Effects of temperature [PDF]

open access: yesPhysical Review E, 2008
5 pages, 8 figures, RevTex ...
Kumar, Sanjay, Mishra, Garima
openaire   +3 more sources

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