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Related publications (31)

Nuclear Excitation by Free Muon Capture

Fabrizio Carbone, Ivan Madan, Simone Gargiulo

Efficient excitation of nuclei via exchange of a real or virtual photon has a fundamental importance for nuclear science and technology development. Here, we present a mechanism of nuclear excitation based on the capture of a free muon into the atomic orbi ...

AMER PHYSICAL SOC2022

Spinor GW /Bethe-Salpeter calculations in BerkeleyGW: Implementation, symmetries, benchmarking, and performance

Oleg Yazyev, Manish Jain

Computing the GW quasiparticle band structure and Bethe-Salpeter equation (BSE) absorption spectra for materials with spin-orbit coupling have commonly been done by treating GW corrections and spin-orbit coupling (SOC) as separate perturbations to density- ...

AMER PHYSICAL SOC2022

Advances in Magnetics Roadmap on Spin-Wave Computing

Qian Wang, Dirk Grundler, Xiuwei Zhang, Yiming Li

Magnonics addresses the physical properties of spin waves and utilizes them for data processing. Scalability down to atomic dimensions, operation in the GHz-to-THz frequency range, utilization of nonlinear and nonreciprocal phenomena, and compatibility wit ...

Institute of Electrical and Electronics Engineers2022

Unified theory of atom-centered representations and message-passing machine-learning schemes

Michele Ceriotti, Guillaume André Jean Fraux, Sergey Pozdnyakov, Jigyasa Nigam

Data-driven schemes that associate molecular and crystal structures with their microscopic properties share the need for a concise, effective description of the arrangement of their atomic constituents. Many types of models rely on descriptions of atom-cen ...

AIP Publishing2022

Magnetic Properties of Surface Adsorbed Metal Adatoms and Dimers

Dante Philippe Sblendorio

This thesis investigates the magnetic properties of single atoms and dimers adsorbed on graphene and oxide decoupling layers supported by single crystal metal substrates, using scanning tunneling microscopy (STM) and spin-polarized scanning tunneling micro ...

EPFL2022

Beyond potentials: Integrated machine learning models for materials

Michele Ceriotti

Over the past decade, interatomic potentials based on machine learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure calculations, they inherit ...

SPRINGER HEIDELBERG2022

Constraining the baryonic feedback with cosmic shear using the DES Year-3 small-scale measurements

Eduardo Sanchez, Jonathan Andrew Blazek, Yi Zhang, Binglun Yin

We use the small scales of the Dark Energy Survey (DES) Year-3 cosmic shear measurements, which are excluded from the DES Year-3 cosmological analysis, to constrain the baryonic feedback. To model the baryonic feedback, we adopt a baryonic correction model ...

Oxford Univ Press2022

Predicting hot-electron free energies from ground-state data

Michele Ceriotti, Federico Grasselli, Chiheb Ben Mahmoud

Machine-learning potentials are usually trained on the ground-state, Born-Oppenheimer energy surface, which depends exclusively on the atomic positions and not on the simulation temperature. This disregards the effect of thermally excited electrons, that i ...

AMER PHYSICAL SOC2022

The Atomic-Level Structure of Cementitious Calcium Aluminate Silicate Hydrate Determined by NMR

David Lyndon Emsley, Pinelopi Moutzouri

We review our recent paper which resolves the long-standing dilemma of the location and nature of the six-fold coordinated aluminum in calcium aluminate silicate hydrate (C-A-S-H) samples. First principles calculations predict that at high Ca:Si and H2O ra ...

2021

Variational Monte Carlo Calculations of A

Giuseppe Carleo

The complexity of many-body quantum wave functions is a central aspect of several fields of physics and chemistry where nonperturbative interactions are prominent. Artificial neural networks (ANNs) have proven to be a flexible tool to approximate quantum m ...

AMER PHYSICAL SOC2021

Hunting for tetraquarks in ultraperipheral heavy ion collisions

Angelo Esposito, Claudio Andrea Manzari

Ultraperipheral heavy ion collisions constitute an ideal setup to look for exotic hadrons because of their low event multiplicity and the possibility of an efficient background rejection. We propose to look for fourquark states produced by photon-photon fu ...

American Physical Society2021

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