Publication

The collisional depolarization of OH(A (2)Sigma(+)) and NO(A (2)Sigma(+)) with Kr

Publications associées (31)

Equivariant representations for molecular Hamiltonians and N-center atomic-scale properties

Michele Ceriotti, Michael John Willatt, Jigyasa Nigam

Symmetry considerations are at the core of the major frameworks used to provide an effective mathematical representation of atomic configurations that is then used in machine-learning models to predict the properties associated with each structure. In most ...

AIP Publishing2022

Controlling surface effects in extremely high aspect ratio gold plasmonic electrodes

Christian Santschi, Olivier Martin, Marco Riccardi

Nanofabrication is key to many technological advances, especially the challenge of merging nanophotonics with electronics. Here, we investigate the fabrication process of plasmonic interdigitated gold electrodes having a very high aspect ratio (i.e. long a ...

ELSEVIER2022

Multi-scale approach for the prediction of atomic scale properties

Michele Ceriotti, Andrea Grisafi, Jigyasa Nigam

Electronic nearsightedness is one of the fundamental principles that governs the behavior of condensed matter and supports its description in terms of local entities such as chemical bonds. Locality also underlies the tremendous success of machine-learning ...

2021

Cryogenic CMOS Circuits and Systems: Challenges and Opportunities in Designing the Electronic Interface for Quantum Processors

Edoardo Charbon, Fabio Sebastiano

Quantum computing could potentially offer faster solutions for some of today's classically intractable problems using quantum processors as computational support for quantum algorithms [1]. Quantum processors, in the most frequent embodiment, comprise an a ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2021

Non-classical photon-phonon correlations at room temperature

Santiago Tarrago Velez

With the development of quantum optics, photon correlations acquired a prominent role as a tool to test our understanding of physics, and played a key role in verifying the validity of quantum mechanics. The spatial and temporal correlations in a light fie ...

EPFL2021

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

Importance of Nuclear Quantum Effects for NMR Crystallography

Michele Ceriotti, Venkat Kapil, Edgar Albert Engel

The resolving power of solid-state nuclear magnetic resonance (NMR) crystallography depends heavily on the accuracy of computational predictions of NMR chemical shieldings of candidate structures, which are usually taken to be local minima in the potential ...

AMER CHEMICAL SOC2021

Survival of rotational alignment in H-2 scattering from Si(100)

Christopher Scott Reilly

We report a state-prepared, state-resolved study of rotational scattering of a diatomic molecule from a solid surface. Specifically, H-2 molecules with 80 meV kinetic energy are rotationally aligned in the j = 3 rotational state via stimulated Raman pumpin ...

AIP Publishing2021

Effect of collisions on non-adiabatic electron dynamics in ITG-driven microturbulence

Stephan Brunner, Justin Richard Ball

Non-adiabatic electron response leads to significant changes in ion temperature gradient (ITG) eigenmodes, leading, in particular, to fine-structures that are significantly extended along the magnetic field lines at corresponding mode rational surfaces (MR ...

2021

Factors affecting the reactivity of slag at early and late ages

Mohsen Ben Haha, Karen Scrivener, Yosra Briki

This study investigates the difference between the reactivity of slag in NaOH solution (w/s = 100) and in cement paste (w/b = 0.4). The reactivity of slag is much higher in NaOH solution than in cement paste. When the NaOH solution is saturated with portla ...

Pergamon-Elsevier Science Ltd2021

A global line list for HDO between 0 and 35000 cm−1 constructed using multiphoton spectra

Oleg Boyarkine

Multiphoton spectroscopy of monodeuterated water is employed to determine more than 210 new energy levels of HDO in the 25 000–35 000 cm region. These new empirical energy levels are used to fit a potential energy surface (PES) valid between 20 000 cm and ...

2021