Results 101 to 110 of about 487,019 (287)

Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics

Entropy, 2013
As shown by Jarzynski, free energy differences between equilibrium states can be expressed in terms of the statistics of work carried out on a system during non-equilibrium transformations.
Christoph Dellago, Gerhard Hummer
doaj   +1 more source

Kinesin and the Crooks fluctuation theorem [PDF]

The European Physical Journal B, 2009
10 pages, 4 figures.
openaire   +3 more sources

Fluctuation theorems for multitime processes

Physical Review A, 2022
14 pages, 2 ...
openaire   +2 more sources

Functional Disorder at the Neural Interface: How Disordered Nanostructures Promote Proper Growth and Differentiation in In Vitro Neural Cultures

Advanced Science, EarlyView.
This work provides a practical guide for neuroengineers to design advanced neural interfaces, embracing and tailoring the concept of functional disorder. By bridging 2D and 3D in vitro models, this work highlights how non‐periodic, spatially heterogeneous, multiscale nanotopography can enable more physiologically relevant platforms for studying neural ...
F. Maita, E. Palmieri, I. Lucarini, L. Montaina, L. Maiolo   +4 more
wiley   +1 more source

Finite-dimensional colored fluctuation-dissipation theorem for spin systems

AIP Advances, 2017
When nano-magnets are coupled to random external sources, their magnetization becomes a random variable, whose properties are defined by an induced probability density, that can be reconstructed from its moments, using the Langevin equation, for mapping ...
Stam Nicolis, Pascal Thibaudeau, Julien Tranchida   +2 more
doaj   +1 more source

Automating Chemical Reasoning in High‐Throughput Phase Identification With a Probabilistic, LLM‐Guided Framework

Advanced Science, EarlyView.
Autonomous laboratories can now synthesize materials faster than experts can interpret the resulting diffraction data. A probabilistic framework combines refinement‐fit metrics with large language model‐derived chemical reasoning to rank competing phase interpretations and flag those unsuitable for autonomous use.
Olympia Dartsi, Lauren N. Walters, Amalie E. Trewartha, Steven B. Torrisi, Amanda Volk, Liam Joyce, Gerbrand Ceder, Anubhav Jain   +7 more
wiley   +1 more source

Brownian dynamics and the fluctuation-dissipation theorem

, 1982
Using two alternative formulations to describe the dynamics of suspended particles subject to an external force, we derive a generalized version of the fluctuation-dissipation theorem.
Quentrec, B., Boon, Jean-Pierre, Bossis, G.   +2 more
core   +1 more source

Lipidomic Profile Reconstruction of Therapeutic Membrane Targets Using Physics‐Based Optimization with Limited Activity Data

Advanced Science, EarlyView.
Using a minimal set of experimentally labeled antimicrobial and non‐antimicrobial peptides, we reconstruct the effective lipid composition of a pathogenic membrane ‐demonstrated at the example of bacterial membranes‐ through a physics‐based evolutionary molecular dynamics (Evo‐MD) approach. Optimization based on peptide insertion reveals broad‐spectrum
Maximilian Krebs, Herre Jelger Risselada
wiley   +1 more source

Performance Estimation and Ex Vivo Validation of Untethered Magnetic Robots in Soft Tissue

Advanced Science, EarlyView.
This study presents an empirical model that quantitatively predicts the step‐out frequency of screw‐type untethered magnetic robots (UMRs) in soft viscoelastic environments, including ex vivo brain tissue. By integrating key parameters into a dimensionless framework, the model enables estimation of robot performance across a range of biological ...
Leendert‐Jan W. Ligtenberg, Thijs J. van der Burg, Stijn Y. Kolkman, Santiago Saavedra Castano, David Fernandez Rivas, Anke Klingner, Roger M. L. M. Lomme, Lucas S. Joziasse, Dorothee Wasserberg, H. Remco Liefers, Doron Ben Ami, Udi Sadeh, Oded Shoseyov, Giulio Dagnino, Pascal Jonkheijm, Jurgen J. Fütterer, Stefano Stramigioli, J. Frank W. Nijsen, Michiel C. Warlé, Islam S. M. Khalil   +19 more
wiley   +1 more source

Editorial: The Fluctuation-Dissipation Theorem Today

Frontiers in Physics, 2022
Ewa Gudowska-Nowak, Fernando A. Oliveira, Fernando A. Oliveira, Horacio Sergio Wio   +3 more
doaj   +1 more source