Publication

CNDOL: A fast and reliable method for the calculation of electronic properties of very large systems. Applications to retinal binding pocket in rhodopsin and gas phase porphine

Related publications (29)

JPEG AIC-3 Dataset: Towards Defining the High Quality to Nearly Visually Lossless Quality Range

Touradj Ebrahimi, Vlad Hosu, Davi Nachtigall Lazzarotto, Michela Testolina

Visual data play a crucial role in modern society, and the rate at which images and videos are acquired, stored, and exchanged every day is rapidly increasing. Image compression is the key technology that enables storing and sharing of visual content in an ...

2023

Dynamism in the context of views out: A literature review

Marilyne Andersen, Caroline Karmann, Yunjoung Cho

Previous studies have shown that access to a satisfactory view to the outside with sufficient daylight is essential for building occupants' health and well-being. It has also been suggested that certain features of visual content improve view-out quality, ...

2023

A Practical Influence Approximation for Privacy-Preserving Data Filtering in Federated Learning

Boi Faltings, Panayiotis Danassis, Ljubomir Rokvic

Federated Learning by nature is susceptible to low-quality, corrupted, or even malicious data that can severely degrade the quality of the learned model. Traditional techniques for data valuation cannot be applied as the data is never revealed. We present ...

2023

Twisting instabilities in elastic ribbons with inhomogeneous pre-stress: A macroscopic analog of thermodynamic phase transition

Pedro Miguel Nunes Pereira de Almeida Reis, Michael Christopher Gomez

We study elastic ribbons subject to large, tensile pre-stress confined to a central region within the cross-section. These ribbons can buckle spontaneously to form helical shapes, featuring regions of alternating chirality (phases) that are separated by so ...

PERGAMON-ELSEVIER SCIENCE LTD2023

Sinter-Resistant Nickel Catalyst for Lignin Hydrogenolysis Achieved by Liquid Phase Atomic Layer Deposition of Alumina

Jeremy Luterbacher, Farzaneh Talebkeikhah, Songlan Sun

Lignin hydrogenolysis is a key step in the sustainable production of renewable bio-based chemicals and fuels. Heterogeneous metal catalysts have led to high yields but they rapidly deactivate, notably due to nanoparticle sintering and carbonaceous deposit ...

2023

incentive Mechanism Design for Responsible Data Governance: A Large-Scale Field Experiment

Boi Faltings, Naman Goel

A crucial building block of responsible artificial intelligence is responsible data governance, including data collection. Its importance is also underlined in the latest EU regulations. The data should be of high quality, foremost correct and representati ...

2023

Emergent non-Hermitian localization phenomena in the synthetic space of zero-dimensional bosonic systems

Fabrizio Minganti

Phase transitions in non-Hermitian systems are at the focus of cutting edge theoretical and experimental research. On the one hand, parity-time- (PT-) and anti-PT-symmetric physics have gained ever-growing interest, due to the existence of non-Hermitian sp ...

AMER PHYSICAL SOC2023

Percolation and phase behavior in cellulose nanocrystal suspensions from nonlinear rheological analysis

Tiffany Abitbol

We examine the influence of surface charge on the percolation, gel-point and phase behavior of cellulose nanocrystal (CNC) suspensions in relation to their nonlinear rheological material response. Desulfation decreases CNC surface charge density which lead ...

ELSEVIER SCI LTD2023

Salt Bridge Structure of Microhydrated Arginine Kinetically Trapped in the Gas Phase by Evaporative Cooling

Oleg Boyarkine, Andrei Zviagin

Aminoacids and peptides generally exhibit zwitterionic forms withsalt bridge (SB) structures in solution but charge-solvated (CS) motifsin the gas phase. Here, we report a study of non-covalent complexesof the protonated amino acid arginine, ArgH(+)(H2O)( ...

2023