Concept

Microstate (statistical mechanics)

Related publications (59)

Charge fluctuations from molecular simulations in the constant-potential ensemble

We revisit the statistical mechanics of charge fluctuations in capacitors. In constant-potential classical molecular simulations, the atomic charges of electrode atoms are treated as additional degrees of freedom which evolve in time so as to satisfy the c ...

2020

EEG microstates are a candidate endophenotype for schizophrenia

Michael Herzog, Christine Mohr, Maya Roinishvili, Ophélie Gladys Favrod, Patricia Figueiredo

Electroencephalogram microstates are recurrent scalp potential configurations that remain stable for around 90 ms. The dynamics of two of the four canonical classes of microstates, commonly labeled as C and D, have been suggested as a potential endophenoty ...

2020

Scale bridging materials physics: Active learning workflows and integrable deep neural networks for free energy function representations in alloys

Anirudh Raju Natarajan

The free energy plays a fundamental role in theories of phase transformations and microstructure evolution. It encodes the thermodynamic coupling between different fields, such as mechanics and chemistry, within continuum descriptions of non-equilibrium ma ...

Elsevier2020

Adiabatic motion and statistical mechanics via mass-zero constrained dynamics

Sara Bonella, Alessandro Coretti

In recent work [Coretti et al., J. Chem. Phys., 2018, 149, 191102], a new algorithm to solve numerically the dynamics of the shell model for polarization was presented. The approach, broadly applicable to systems involving adiabatically separated dynamical ...

2020

Persistent decay of fresh xylem hydraulic conductivity varies with pressure gradient and marks plant responses to injury

Sara Bonetti, Dani Or

Defining plant hydraulic traits is central to the quantification of ecohydrological processes ranging from land-atmosphere interactions, to tree mortality and water-carbon budgets. A key plant trait is the xylem specific hydraulic conductivity (Kx), that d ...

2020

Phase retrieval in high dimensions: Statistical and computational phase transitions

Florent Gérard Krzakala, Lenka Zdeborová, Bruno Loureiro, Bruno Loureiro

We consider the phase retrieval problem of reconstructing a n -dimensional real or complex signal X ⋆ from m (possibly noisy) observations Y μ = | ∑ n i = 1 Φ μ i X ⋆ i / √ n | , for a large class of correlated real and complex random sensing matrices Φ , ...

Curran Associates, Inc.2020

Statistical nature of the incipient plasticity in amorphous alloys

Shankha Nag

Statistical analyses of the first pop-in stress data, obtained by spherical tip-nanoindentation experiments on different metallic glasses (MGs) with tip radius, R-i, loading rate, (P) over dot, and structural state of the glass as experimental variables, s ...

PERGAMON-ELSEVIER SCIENCE LTD2020

Quantifying high-order interdependencies via multivariate extensions of the mutual information

Michael Christoph Gastpar, Fernando Rosas de Andraca

This paper introduces a model-agnostic approach to study statistical synergy, a form of emergence in which patterns at large scales are not traceable from lower scales. Our framework leverages various multivariate extensions of Shannon's mutual information ...

2019

Machine learning materials physics: Integrable deep neural networks enable scale bridging by learning free energy functions

Anirudh Raju Natarajan

The free energy of a system is central to many material models. Although free energy data is not generally found directly, its derivatives can be observed or calculated. In this work, we present an Integrable Deep Neural Network (IDNN) that can be trained ...

Elsevier2019

EEG microstates in schizophrenia: a candidate endophenotype

Michael Herzog, Christine Mohr, Maya Roinishvili, Ophélie Gladys Favrod, Patricia Figueiredo

Objective: Electroencephalogram (EEG) microstates are on-going scalp potential configurations that remain stable for around 80 ms. Abnormal temporal dynamics of specific classes of microstates have been suggested as a potential endophenotype for schizophre ...

2019

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