Concept

Scalar potential

Publications associées (147)

Automated Multiscale Approach To Predict Self-Diffusion from a Potential Energy Field

Berend Smit, Senja Dominique Barthel, Amber Kashan Mace

For large-scale screening studies there is a need to estimate the diffusion of gas molecules in nanoporous materials more efficiently than (brute force) molecular dynamics. In particular for systems with low diffusion coefficients molecular dynamics can be ...

2019

Open-boundary conditions in the deconfined phase

Adrien Florio

In this work, we consider open-boundary conditions at high temperatures, as they can potentially be of help to measure the topological susceptibility. In particular, we measure the extent of the boundary effects at T = 1.5T(C) and T = 2.7T(C). In the first ...

Springer2019

Transient Negative Capacitance of Silicon-doped HfO2 in MFMIS and MFIS structures: experimental insights for hysteresis-free steep slope NC FETs

Mihai Adrian Ionescu, Paul Muralt, Igor Stolichnov, Ali Saeidi, Matteo Cavalieri, Carlotta Gastaldi

In this paper, we experimentally explore the transient negative capacitance effect in ferroelectric high-k gate stacks using multi-ferroelectric domain Si-doped HfO2 with and without the metal plane, MFMIS (TiN/Si:HfO2/TiN/SiO2) and MFIS (TiN/Si:HfO2/SiO2) ...

IEEE2019

Convergence analysis of Padé approximations for Helmholtz frequency response problems

Fabio Nobile, Francesca Bonizzoni

The present work concerns the approximation of the solution map

S

associated to the parametric Helmholtz boundary value problem, i.e., the map which associates to each (real) wavenumber belonging to a given interval of interest the corresponding solution ...

2018

Distribution of the ribosome associated endonuclease Rae1 and the potential role of conserved amino acids in codon recognition

Jérémie Piton

We recently identified a novel ribonuclease in Bacillus subtilis called Rae1 that cleaves mRNAs in a translation-dependent manner. Rae1 is a member of the NYN/PIN family of ribonucleases and is highly conserved in the Firmicutes, the Cyanobacteria and the ...

TAYLOR & FRANCIS INC2018

Casein kinase 2 mediated phosphorylation of Spt6 modulates histone dynamics and regulates spurious transcription

Eric Paquet

CK2 is an essential protein kinase implicated in various cellular processes. In this study, we address a potential role of this kinase in chromatin modulations associated with transcription. We found that CK2 depletion from yeast cells leads to replication ...

OXFORD UNIV PRESS2018

Exploring the role of post-translational modifications in regulating α-synuclein interactions by studying the effects of phosphorylation on nanobody binding

Hilal Lashuel, Juan Kiwi, Bruno Claude Daniel Fauvet, Anass Chiki, Farah El Turk

Intracellular deposits of α-synuclein in the form of Lewy bodies are major hallmarks of Parkinson’s disease (PD) and a range of related neurodegenerative disorders. Post-translational modifications (PTMs) of α-synuclein are increasingly thought to be major ...

2018

Photosensitized Hydrogen Evolution on a Floating Electrocatalyst Coupled to Electrochemical Recycling

Hubert Girault, Astrid Johana Olaya Avendano, Jonnathan Cesar Hidalgo Acosta, Terumasa Omatsu

Photoexcited protonated tetrathiafulvalene (HTTF+) was found to act as a photosensitizer, injecting electrons into Pt microparticles (floating electrocatalysts) to produce H2 and TTF•+ in acidic acetonitrile. In addition, TTF•+ was electrochemically reduce ...

2018

"Do you feel in control?": Towards Novel Approaches to Characterise, Manipulate and Measure the Sense of Agency in Virtual Environments

Louis Philippe Albert, Camille Marie Jeunet

While the Sense of Agency (SoA) has so far been predominantly characterised in VR as a component of the Sense of Embodiment, other communities (e.g., in psychology or neurosciences) have investigated the SoA from a different perspective proposing complemen ...

2018

Microplastics as Vectors for Environmental Contaminants : Exploring Sorption, Desorption, and Transfer to Biota

Anders Meibom, Louise Helene Soegaard Jensen, Julia Marie Jeanne Yvonne Bodin, Philipp Mayer

The occurrence and effects of microplastics (MPs) in the aquatic environment are receiving increasing attention. In addition to their possible direct adverse effects on biota, the potential role of MPs as vectors for hydrophobic organic chemicals (HOCs), c ...

Society of Environmental Toxicology and Chemistry Press2017

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Convergence analysis of Padé approximations for Helmholtz frequency response problems

Fabio Nobile, Francesca Bonizzoni

The present work concerns the approximation of the solution map

S

associated to the parametric Helmholtz boundary value problem, i.e., the map which associates to each (real) wavenumber belonging to a given interval of interest the corresponding solution ...

2018