29 citations
- Centre National de la Recherche ScientifiqueFR10 papers
- Aix-Marseille UniversitéFR8 papers
- Centrale MéditerranéeFR7 papers
- Institut des Matériaux, de Microélectronique et des Nanosciences de ProvenceFR7 papers
- Florida State UniversityUS4 papers
- National High Magnetic Field LaboratoryUS4 papers
- Institut des Sciences Chimiques de RennesFR3 papers
- Laboratoire de Chimie et Physique QuantiquesFR3 papers
- Université de RennesFR3 papers
- Université Toulouse III - Paul SabatierFR3 papers
- Laboratoire de l'Informatique du ParallélismeFR2 papers
- Laboratoire d’informatique Parallélisme Réseaux Algorithmes DistribuésFR2 papers
10 papers
QMCkl: A Kernel Library for Quantum Monte Carlo Applications
Emiel Slootman, Vijay Gopal Chilkuri, Aurelien Delval +16
Quantum Monte Carlo (QMC) methods deliver highly accurate electronic structure calculations but are computationally intensive. The quantum Monte Carlo kernel library (QMCkl) provid…
TREXIO: A File Format and Library for Quantum Chemistry
Evgeny Posenitskiy, Vijay Gopal Chilkuri, Abdallah Ammar +13
TREXIO is an open-source file format and library developed for the storage and manipulation of data produced by quantum chemistry calculations. It is designed with the goal of prov…
Wrinkling and crumpling in twisted few and multilayer CVD graphene: High density of edge modes influencing Raman spectra
D. Nikolaievskyi, M. Torregrosa, A. Merlen +8
Richness and complexity of Raman spectra related to graphene materials is established from years to decades, with, among others: the well-known G, D, 2D,... bands plus a plethora o…
Magnetic resonance probing of ferroelectricity and magnetism in metal-organic frameworks
Nandita Abhyankar, Sylvain Bertaina, Maylis Orio +1
We employ electron paramagnetic resonance (EPR) of the spin probe Mn2+ to study the paraelectric ferroelectric transition in DMAMnF and Mn2 doped DMZnF, which are considered to be…
Electron spins interaction in the spin-Peierls phase of the organic spin chain (o -DMTTF) 2 X (X = Cl, Br, I)
Loic Soriano, Olivier Pilone, Michael D. Kuz'Min +5
We investigate the electron spin resonance of the organic spin-Peierls chain (o-DMTTF)2X with X = Cl, Br and I. We describe the temperature dependence of the spin gap during the ph…
Superlattice Induced by Charge Order in the Organic Spin Chain (TMTTF) ( SbF, AsF and PF) Revealed by High Field EPR
C-E Dutoit, A. Stepanov, J. VanTol +2
We have investigated the charge ordering phase of the quasi one dimensional quantum antiferromagnet (TMTTF) ( SbF, AsF and PF) using high fields/frequencies el…