72 citations
- Sorbonne UniversitéFR9 papers
- Centre National de la Recherche ScientifiqueFR6 papers
- Laboratoire de Chimie ThéoriqueFR3 papers
- Biologie Computationnelle, Quantitative et SynthétiqueFR2 papers
- CERMICSFR2 papers
- École nationale des ponts et chausséesFR2 papers
- Heidelberg UniversityDE2 papers
- Institut de Biologie Paris-SeineFR2 papers
- Stockholm UniversitySE2 papers
- AlbaNovaSE1 paper
- Alps Electric (Japan)JP1 paper
- Center for Biomolecular NanotechnologiesIT1 paper
8 papers
Self-consistent density-based basis-set correction: How much do we lower total energies and improve dipole moments?
Emmanuel Giner, Diata Traore, Barthélemy Pradines +1
This work provides a self-consistent extension of the recently proposed density-based basis-set correction method for wave-function electronic-structure calculations [J. Chem. Phys…
The complexity of protein interactions unravelled from structural disorder
Beatriz Seoane, Alessandra Carbone
The idea that structural disorder might be a novel mechanism of protein interaction is widespread in the Literature, although the number of statistically significant structural stu…
CoVR: A Large-Scale Force-Feedback Robotic Interface for Non-Deterministic Scenarios in VR
Elodie Bouzbib, Gilles Bailly, Sinan Haliyo +1
We present CoVR, a novel robotic interface providing strong kinesthetic feedback (100 N) in a room-scale VR arena. It consists of a physical column mounted on a 2D Cartesian ceilin…
Quantifying the error of the core-valence separation approximation
Michael F. Herbst, Thomas Fransson
For the calculation of core-excited states probed through X-ray absorption spectroscopy, the core-valence separation (CVS) scheme has become a vital tool. This approach allows to t…
adcc: A versatile toolkit for rapid development of algebraic-diagrammatic construction methods
Michael F. Herbst, Maximilian Scheurer, Thomas Fransson +2
ADC-connect (adcc) is a hybrid python/C++ module for performing excited state calculations based on the algebraic-diagrammatic construction scheme for the polarisation propagator (…
Improving landscape inference by integrating heterogeneous data in the inverse Ising problem
Pierre Barrat-Charlaix, Matteo Figliuzzi, Martin Weigt
The inverse Ising problem and its generalizations to Potts and continuous spin models have recently attracted much attention thanks to their successful applications in the statisti…