Concept
Micro-état (physique statistique)
Publications associées (59)
Thermal conductivity of glasses: first-principles theory and applications
Nicola Marzari, Michele Simoncelli
Predicting the thermal conductivity of glasses from first principles has hitherto been a very complex problem. The established Allen-Feldman and Green-Kubo approaches employ approximations with limited validity-the former neglects anharmonicity, the latter ...
NATURE PORTFOLIO2023Landscapes of DNA Mechanics and Genomes
The local physical properties - such as shape and flexibility - of the DNA double-helix is today widely believed to be influenced by nucleic acid sequence in a non-trivial way. Furthermore, there is strong evidence that these properties play a role in many ...
EPFL2023Degradation of EEG microstates patterns in subjective cognitive decline and mild cognitive impairment: Early biomarkers along the Alzheimer's Disease continuum?
Silvestro Micera, Michael Lassi
Alzheimer's disease (AD) pathological changes may begin up to decades earlier than the appearance of the first symptoms of cognitive decline. Subjective cognitive decline (SCD) could be the first pre-clinical sign of possible AD, which might be followed by ...
ELSEVIER SCI LTD20232023 Roadmap on molecular modelling of electrochemical energy materials
Alfredo Pasquarello, Chunmin Zhang, Assil Bouzid
New materials for electrochemical energy storage and conversion are the key to the electrification and sustainable development of our modern societies. Molecular modelling based on the principles of quantum mechanics and statistical mechanics as well as em ...
Bristol2023A complete description of thermodynamic stabilities of molecular crystals
Venkat Kapil, Edgar Albert Engel
Predictions of relative stabilities of (competing) molecular crystals are of great technological relevance, most notably for the pharmaceutical industry. However, they present a long-standing challenge for modeling, as often minuscule free energy differenc ...
NATL ACAD SCIENCES2022Conformal Field Theory at the Lattice Level: Discrete Complex Analysis and Virasoro Structure
Critical statistical mechanics and Conformal Field Theory (CFT) are conjecturally connected since the seminal work of Beliavin et al. (Nucl Phys B 241(2):333-380, 1984). Both exhibit exactly solvable structures in two dimensions. A long-standing question ( ...
SPRINGER2022Invariance principles in the theory and computation of transport coefficients
In this work, we elaborate on two recently discovered invariance principles, according to which transport coefficients are, to a large extent, independent of the microscopic definition of the densities and currents of the conserved quantities being transpo ...
2021Nuclear Quantum Effects: Fast and Accurate
Atomistic simulations are a bottom up approach that predict properties
of materials by modelling the quantum mechanical behaviour of all electrons
and nuclei present in a system. These simulations, however, routinely assume
nuclei to be classical particles ...
EPFL2020