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Concept

Microréversibilité

Publications associées (28)

High-order geometric integrators for the variational Gaussian wavepacket dynamics and application to vibronic spectra at finite temperature

Roya Moghaddasi Fereidani

Molecular quantum dynamics simulations are essential for understanding many fundamental phenomena in physics and chemistry. They often require solving the time-dependent Schrödinger equation for molecular nuclei, which is challenging even for medium-sized ...

EPFL2024

Non-targeted facilitation of primary sludge anaerobic fermentation by micro-aeration and the simultaneous nutrients transformations

Mohammed Mouhib

Anaerobic fermentation is a widely used technology for resource recovery from municipal sludge (e.g., primary sludge). Micro-aeration is an emerging strategy which can be incorporated into this technology. However, the effect of micro-aeration on the anaer ...

Elsevier Science Sa2024

Charge fluctuations in the intermediate-valence ground state of SmCoIn5

Nicola Colonna

The microscopic mechanism of heavy band formation, relevant for unconventional superconductivity in CeCoIn5 and other Ce-based heavy fermion materials, depends strongly on the efficiency with which f electrons are delocalized from the rare earth sites and ...

NATURE PORTFOLIO2023

Temperature- and vacancy-concentration-dependence of heat transport in Li3ClO from multi-method numerical simulations

Federico Grasselli, Paolo Pegolo

Despite governing heat management in any realistic device, the microscopic mechanisms of heat transport in all-solid-state electrolytes are poorly known: existing calculations, all based on simplistic semi-empirical models, are unreliable for superionic co ...

NATURE PORTFOLIO2022

The effect of high relative humidity on a network of water-sensitive particles (couscous) as revealed by in situ X-ray tomography

Edward Carlo Giorgio Andò

Water significantly influences the mechanical behaviour of all granular materials but none as much as hygroscopic amorphous particles. With sufficiently high water content, particles can swell, agglomerate and their mechanical properties can be reduced, ha ...

ROYAL SOC CHEMISTRY2022

High-order geometric integrators for nonadiabatic molecular quantum dynamics and their applications to explore conical intersections

Seonghoon Choi

Accurate simulations of molecular quantum dynamics are crucial for understanding numerous natural processes and experimental results. Yet, such high-accuracy simulations are challenging even for relatively simple systems where the Born-Oppenheimer approxim ...

EPFL2022

Symmetry enhanced spin-Nernst effect in honeycomb antiferromagnetic transition metal trichalcogenide monolayers

Mohammad Hamdi, Seyedeh Fatemeh Haddadi Givi

We investigate systematically the spin-Nernst effect in Neel and zigzag ordered honeycomb antiferromagnets. Monolayers of transition-metal trichalcogenides, MnPSe3, MnPS3, and VPS3 show an antiferromagnetic Neel order while CrSiTe3, NiPS3, and NiPSe3 show ...

2021

Cryogenic MOSFET Modeling for Large-Scale Quantum Computing

Arnout Lodewijk M Beckers

Promising results of state-of-the-art quantum computers fuel a world-wide effort in academic and private research laboratories to scale up the number of qubits and improve their characteristics in large arrays. To meet the scale-up challenge, innovative mi ...

EPFL2021

Arbitrarily high time bandwidth performance in a nonreciprocal optical resonator with broken time invariance

Camille Sophie Brès, Hatice Altug, Davide Grassani, Simon Julien Fabbri, Kosmas Tsakmakidis, Ivan Cardea

Most present-day resonant systems, throughout physics and engineering, are characterized by a strict time-reversal symmetry between the rates of energy coupled in and out of the system, which leads to a trade-off between how long a wave can be stored in th ...

Nature Research2020

Non-equilibrium kinetics and trajectory thermodynamics of synthetic molecular pumps

Cristian Pezzato

A major goal in the design of synthetic molecular machines is the creation of pumps that can use the input of energy to transport material from a reservoir at low chemical potential to a different reservoir at higher chemical potential, thereby forming and ...

ROYAL SOC CHEMISTRY2020

Biophysically detailed mathematical models of multiscale cardiac active mechanics

Alfio Quarteroni, Francesco Regazzoni

Author summary Computer-based numerical simulations of the heart are increasingly assuming a recognized role in the context of computational medicine and cardiology. They are based on mathematical models describing the different physical phenomena occurrin ...

2020

Entropy production in master equations and Fokker-Planck equations: facing the coarse-graining and recovering the information loss

Daniel Maria Busiello, Amos Maritan

Systems operating out of equilibrium exchange energy and matter with the environment, thus producing entropy in their surroundings. Since the entropy production depends on the current flowing throughout the system, its quantification is affected by the lev ...

2019

A time-reversible integrator for the time-dependent Schrödinger equation on an adaptive grid

Jiri Vanicek, Seonghoon Choi

One of the most accurate methods for solving the time-dependent Schrödinger equation uses a combination of the dynamic Fourier method with the split-operator algorithm on a tensor-product grid. To reduce the number of required grid points, we let the grid ...

2019

Anisotropic exchange Hamiltonian, magnetic phase diagram, and domain inversion of Nd2Zr2O7

Vivek Kumar Anand

We present thermodynamic and neutron-scattering measurements on the quantum spin ice candidate Nd2Zr2O7. The parametrization of the anisotropic exchange Hamiltonian is refined based on high-energyresolution inelastic neutron-scattering data together with t ...

2019

Correlation between site occupancies and spin-glass transition in skyrmion host Co10-x/2Zn10-x/2Mnx

Henrik Moodysson Rønnow, Jonathan White

Ternary alloys Co-Zn-Mn with beta-Mn-type structure exhibit helimagnetic order and skyrmion lattice states in a low-Mn-concentration region. Recent studies on Co10-x/2Zn10-x/2Mnx (CZM) revealed that the magnetic modulation period and the paramagnetic-to-he ...

AMER PHYSICAL SOC2019

Lattice-mediated magnetic order melting in TbMnO3

Fabrizio Carbone, Edoardo Baldini

Recent ultrafast magnetic-sensitive measurements [Johnson et al., Phys. Rev. B 92, 184429 (2015); Bothschafter et al., Phys. Rev. B 96, 184414 (2017)] have revealed a delayed melting of the long-range cycloid spin order in TbMnO 3 following photoexcitation ...

2018

New Insights into the Verwey Transition in Magnetite

Simone Borroni

Magnetite (Fe

_3

_4

) is the first magnetic material discovered by mankind. Despite thousands of years of applications, from the magnetic compass to data storage, and decades of basic research, it remains among the most fascinating materials for physicis ...

EPFL2018

Mediatorless, Reversible Optical Nanosensor Enabled through Enzymatic Pocket Doping

Ardemis Anoush Boghossian, Vitalijs Zubkovs, Benjamin Paul Johanès Gabriel Lambert, Nils Schürgers

This study presents a reversible, mediatorless, near-infrared glucose sensor based on glucose oxidase-wrapped SWCNTs. A combination of fluorescence, absorption, and Raman spectroscopy measurements suggest a fluorescence enhancement mechanism based on local ...

Wiley-Blackwell2017

Lattice, spin and orbital excitations in selected transition metal oxides : a resonant inelastic x-ray scattering investigation

Sara Fatale

Transition metal compounds represent a unique class of solids characterized by a surprising richness of physical properties. They display many phenomena and represent the main area of interest for the research on strongly correlated materials. Many novel i ...

EPFL2017

The STM bias voltage-dependent polymorphism of a binary supramolecular network

Klaus Kern, Magalí Alejandra Lingenfelder, Fernando Pablo Cometto, Bart Willem Stel

A Scanning Tunneling Microscope (STM) is used to induce a reversible transition between different polymorphs in a binary supramolecular network at the liquid/solid interface. The transition is driven externally by switching the polarity of the sample by po ...

Royal Society of Chemistry2017