Publications related to Anomalous anisotropic exciton temperature dependence in rutile TiO2

Alignment of ND3 molecules in dc-electric fields

Andreas Osterwalder, Junwen Zou, Viet Le Duc

The control of movement and orientation of gas-phase molecules has become the focus of many research areas in molecular physics. Here, ND3 molecules are polarized in a segmented, curved electrostatic guide and adiabatically aligned inside a rotatable mass ...

Aip Publishing2024

Dual-shot approach for polarization retrieval through a scattering medium

Abhijit Roy

A dual-shot technique based on the field basis addition of two statistically independent speckle patterns is developed to recover an input polarization through a scattering layer. It is proposed theoretically, and demonstrated both numerically and experime ...

Iop Publishing Ltd2024

Exciton migration in two-dimensional materials

Excitons play an essential role in the optical response of two-dimensional materials. These are bound states showing up in the band gaps of many-body systems and are conceived as quasiparticles formed by an electron and a hole. By performing real-time simu ...

Nature Portfolio2024

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

Plasmonic Nanostructures for Photocatalysis: Material, Photonic and Electronic Effects

Fateme Kiani Shahvandi

Plasmonic photochemistry has a large potential to replace energy-intensive chemical processes with low-temperature, low-pressure light-driven chemical reactions. Plasmonic nanostructures have emerged as promising photocatalysts with exceptional and tunable ...

EPFL2024

Thermal conductivity of Li 3 PS 4 solid electrolytes with ab initio accuracy

Michele Ceriotti, Federico Grasselli

The vast amount of computational studies on electrical conduction in solid-state electrolytes is not mirrored by comparable efforts addressing thermal conduction, which has been scarcely investigated despite its relevance to thermal management and (over)he ...

Amer Physical Soc2024

Magneto-Thermoelectric Transport in Graphene Quantum Dot with Strong Correlations

Oleksandr Kriuchkov

Disorder at etched edges of graphene quantum dots (GQD) enables random all-to-all interactions between localized charges in partially filled Landau levels, providing a potential platform to realize the Sachdev-Ye-Kitaev (SYK) model. We use quantum Hall edg ...

2024

Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties

Ksenia Briling

Statistical (machine-learning, ML) models are more and more often used in computational chemistry as a substitute to more expensive ab initio and parametrizable methods. While the ML algorithms are capable of learning physical laws implicitly from data, ad ...

EPFL2024

Layered metals as polarized transparent conductors

Philip Johannes Walter Moll, Matthias Carsten Putzke, Chunyu Guo, Maja Deborah Bachmann

The quest to improve transparent conductors balances two key goals: increasing electrical conductivity and increasing optical transparency. To improve both simultaneously is hindered by the physical limitation that good metals with high electrical conducti ...

Nature Portfolio2023

Ultralong 100 ns spin relaxation time in graphite at room temperature

László Forró, Bálint Náfrádi, Péter Szirmai, Bence Gábor Márkus

Graphite has been intensively studied, yet its electron spins dynamics remains an unresolved problem even 70 years after the first experiments. The central quantities, the longitudinal (T-1) and transverse (T-2) relaxation times were postulated to be equal ...

Nature Portfolio2023

Long-range electrostatic contribution to electron-phonon couplings and mobilities of two-dimensional and bulk materials

Massimiliano Stengel, Nicola Marzari, Marco Gibertini, Samuel Poncé

Charge transport plays a crucial role in manifold potential applications of two-dimensional materials, in-cluding field-effect transistors, solar cells, and transparent conductors. At most operating temperatures, charge transport is hindered by scattering ...

AMER PHYSICAL SOC2023

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Justin Villard

Computational chemistry aims to simulate reactions and molecular properties at the atomic scale, advancing the design of novel compounds and materials with economic, environmental, and societal implications. However, the field relies on approximate quantum ...

EPFL2023

Polariton lasing in AlGaN microring with GaN/AlGaN quantum wells

Jean-François Carlin, Nicolas Grandjean, Raphaël Butté

Microcavity polaritons are strongly interacting hybrid light-matter quasiparticles, which are promising for the development of novel light sources and active photonic devices. Here, we report polariton lasing in the UV spectral range in microring resonator ...

AIP Publishing2023

Exploring Novel Modalities for Optical Diffraction Tomography

Amirhossein Saba Shirvan

In the past decade, optical diffraction tomography has gained a lot of attention for its ability to create label-free three-dimensional (3D) images of the refractive index distribution of biological samples using scattered fields measured through holograph ...

EPFL2023

Dielectric Tetramer Nanoresonators Supporting Strong Superchiral Fields for Vibrational Circular Dichroism Spectroscopy

Hatice Altug, Yasaman Jahani, Bang Hyun Lee, Ming-Lun Tseng, Rui Lu, Longfang Ye, Felix Ulrich Richter

Chirality (C) is a fundamental property of objects, in terms of symmetry. It is extremely important to sense and distinguish chiral molecules in the fields of biochemistry, science, and medicine. Vibrational circular dichroism (VCD) spectroscopy, obtained ...

Amer Chemical Soc2023

Imaging and controlling coherent phonon wave packets in single graphene nanoribbons

Klaus Kern, Yang Luo

The motion of atoms is at the heart of any chemical or structural transformation in molecules and materials. Upon activation of this motion by an external source, several (usually many) vibrational modes can be coherently coupled, thus facilitating the che ...

Nature Portfolio2023

Many-body screening effects in liquid water

Alfredo Pasquarello, Igor Reshetnyak, Arnaud Guillaume Lorin

The screening arising from many-body excitations is a crucial quantity for describing absorption and inelastic X-ray scattering (IXS) of materials. Similarly, the electron screening plays a critical role in state-of-the-art approaches for determining the f ...

Nature Portfolio2023

Plane Waves Versus Correlation-Consistent Basis Sets: A Comparison of MP2 Non-Covalent Interaction Energies in the Complete Basis Set Limit

Ursula Röthlisberger, Justin Villard, Martin Peter Bircher

Second-order Moller-Plesset perturbation theory (MP2) is the most expedient wave function-based method for considering electron correlation in quantum chemical calculations and, as such, provides a cost-effective framework to assess the effects of basis se ...

Amer Chemical Soc2023

Plasmonic nanobar-on-mirror antenna with giant local chirality: a new platform for ultrafast chiral single-photon emission

Wen Chen, Kai Wang

Providing an additional degree of freedom for binary information encoding and nonreciprocal information transmission, chiral single photons have become a new research frontier in quantum optics. Without using complex external conditions (e.g., magnetic fie ...

ROYAL SOC CHEMISTRY2022

Optoelectronics based on the spin-valley physics of 2D materials

Juan Francisco Gonzalez Marin

Two-dimensional (2D) materials are atomically thin crystals with exceptional mechanical, electrical and optical properties. Their unique characteristics originating from quantum confinement in the vertical dimension have attracted a strong interest for sci ...

EPFL2022