Machine learning meets chemical physics

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Spherical harmonics provide a smooth, orthogonal, and symmetry-adapted basis to expand functions on a sphere, and they are used routinely in physical and theoretical chemistry as well as in different fields of science and technology, from geology and atmos ...

Nanocrystal (NC)-sensitized triplet-fusion upconversion is a rising strategy to convert long-wavelength, incoherent light into higher-energy output photons. Here, we chart the photophysics of tailor-functionalized CdSe NCs to understand energy transfer to ...

Within the reduced basis methods approach, an effective low-dimensional subspace of a quantum many-body Hilbert space is constructed in order to investigate, e.g., the ground-state phase diagram. The basis of this subspace is built from solutions of snapsh ...

We use numerical bootstrap techniques to study correlation functions of traceless sym-metric tensors of O(N) with two indices ti j. We obtain upper bounds on operator dimen-sions for all the relevant representations and several values of N. We discover sev ...

Nature fabricates hard functional materials from soft organic scaffolds that are mineralized. To enable an energy-efficient locomotion of these creatures while maintaining their structural stability, nature often renders parts of these minerals porous. Unf ...

We theoretically and experimentally investigate the formation of dissipative coherent structures in Kerr nonlinear optical microresonators, whose spectrum encompasses an integrated dispersion that exceeds the cavity free-spectral range. We are able to acce ...

Layered hybrid perovskites are based on organic spacers separating hybrid perovskite slabs. We employ arene and perfluoroarene moieties based on 1,4-phenylenedimethylammonium (PDMA) and its perfluorinated analogue (F-PDMA) in the assembly of hybrid layered ...

Nuclear magnetic resonance (NMR) chemical shifts are a direct probe of local atomic environments and can be used to determine the structure of solid materials. However, the substantial computational cost required to predict accurate chemical shifts is a ke ...

Terahertz and far-infrared techniques are combined with complementary Raman and inelastic neutron scattering results to probe the low-energy phonon dynamics of archetypal antiferroelectric candidate - francisite (Cu3Bi(SeO3)(2)O2Cl). The combined results c ...

The recent discovery of topologically nontrivial behavior in Co3Sn2S2 stimulated a notable interest in this itinerant ferromagnet (T-C = 174 K). The exact magnetic state remains ambiguous, with several reports indicating the existence of a second transitio ...

The integration of transition-metal dichalcogenides (TMDs) with non-planar substrates such as nanopillars provides a way to spatially modify the optical properties mainly through the localized strain. Similar studies to date have utilized insulating SiO2 n ...

Modeling ferroelectric materials from first principles is one of the successes of density-functional theory and the driver of much development effort, requiring an accurate description of the electronic processes and the thermodynamic equilibrium that driv ...

An overview of recent results obtained at the tokamak ASDEX Upgrade (AUG) is given. A work flow for predictive profile modelling of AUG discharges was established which is able to reproduce experimental H-mode plasma profiles based on engineering parameter ...

Relying on the previously developed charge-based approaches, this paper presents a physics-based design space of negative capacitance in double-gate and bulk MOSFET architectures. The impact of thickness variation of the ferroelectric on the DC characteris ...

For half a century, the analysis of the size of national assemblies was dominated by the famous cube-root relation with the population. However, a revisitation of that historical work with a physicist's approach reveals basic conceptual problems that fatal ...

Studies on oxide quasi-two-dimensional electron gas (q2DEG) have been a playground for the discovery of novel and sometimes unexpected phenomena, like the reported magnetism at the surface of SrTiO3 (001) and at the interface between nonmagnetic LaAlO3 and ...

Narrowband microwave filters have wide ranging applications, including the reduction in phase noise of microwave sources within a given frequency band. The prospect of developing an automated filter that tunes itself to an arbitrary desired frequency at ma ...

In this paper, we report on the comprehensive study on Molybdenum disulfide (MoS2) nanolayer coated etched Fiber Bragg Grating (eFBG) strain sensor. MoS2 nanolayer is coated using Physical Vapor Deposition (PVD) of Molybdenum (Mo) on eFBGs followed by sulf ...

An advanced neutron detection system for highly localized measurements in nuclear reactor cores was developed and tested in the Laboratory for Reactor Physics and System Behaviour (LRS) at the Ecole polytechnique federale de Lausanne (EPFL), Switzerland, i ...

Machine learning meets chemical physics

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Fast evaluation of spherical harmonics with sphericart

Sequential Carrier Transfer Can Accelerate Triplet Energy Transfer from Functionalized CdSe Nanocrystals

Reduced basis surrogates for quantum spin systems based on tensor networks

Bootstrapping traceless symmetric O(N) scalars

Additive Manufacturing of Porous Biominerals

Dissipative Solitons and Switching Waves in Dispersion-Modulated Kerr Cavities

Nanosegregation in arene-perfluoroarene pi-systems for hybrid layered Dion-Jacobson perovskites

A Machine Learning Model of Chemical Shifts for Chemically and Structurally Diverse Molecular Solids

Soft-mode dynamics and sublattice polarization in an archetypal antiferroelectric

Unraveling the origin of the peculiar transition in the magnetically ordered phase of theWeyl semimetal Co3Sn2S2

Spatial Modulation of Vibrational and Luminescence Properties of Monolayer MoS & x2082; Using a GaAs Nanowire Array

Thermodynamics and dielectric response of BaTiO3 by data-driven modeling

Progress from ASDEX Upgrade experiments in preparing the physics basis of ITER operation and DEMO scenario development

Design Space of Negative Capacitance in FETs

Size of National Assemblies: The Classic Derivation of the Cube-Root Law is Conceptually Flawed

Two-dimensional electron gas at the (001) surface of ferromagnetic EuTiO3

Automated wide-ranged finely tunable microwave cavity for narrowband phase noise filtering

A Study on MoS2 Nanolayer Coated Etched Fiber Bragg Grating Strain Sensor

Data driven approximation of parametrized PDEs by reduced basis and neural networks

Developing and testing a miniature fiber-coupled scintillator for in-core neutron counting in CROCUS