Many-Body Electronic Structure of NdNiO2 and CaCuO2

Electronic structure of the parent compound of superconducting infinite-layer nickelates

(2020) M. Hepting et al.   NATURE MATERIALS

Similarities and Differences between LaNiO2 and CaCuO2 and Implications for Superconductivity

(2020) A. S. Botana et al.   Physical Review X

Topotactic Hydrogen in Nickelate Superconductors and Akin Infinite-Layer Oxides ABO2

(2020) Liang Si et al.   PHYSICAL REVIEW LETTERS

Superconductivity in an infinite-layer nickelate

(2019) Danfeng Li et al.   NATURE

Wannier90 as a community code: new features and applications

(2019) Giovanni Pizzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Hole superconductivity in infinite-layer nickelates

(2019) J.E. Hirsch et al.   PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS

The Remarkable Underlying Ground States of Cuprate Superconductors

(2018) Cyril Proust et al.   Annual Review of Condensed Matter Physics

Layered palladates and their relation to nickelates and cuprates

(2018) A. S. Botana et al.   PHYSICAL REVIEW MATERIALS

Large orbital polarization in a metallic square-planar nickelate

(2017) Junjie Zhang et al.   Nature Physics

TRIQS/DFTTools: A TRIQS application for ab initio calculations of correlated materials

(2016) Markus Aichhorn et al.   COMPUTER PHYSICS COMMUNICATIONS

TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridisation expansion solver for quantum impurity problems

(2016) Priyanka Seth et al.   COMPUTER PHYSICS COMMUNICATIONS

TRIQS: A toolbox for research on interacting quantum systems

(2015) Olivier Parcollet et al.   COMPUTER PHYSICS COMMUNICATIONS

From quantum matter to high-temperature superconductivity in copper oxides

(2015) B. Keimer et al.   NATURE

Quantifying electronic correlation strength in a complex oxide: A combined DMFT and ARPES study ofLaNiO3

(2015) E. A. Nowadnick et al.   PHYSICAL REVIEW B

Nickel-titanium double perovskite: A three-dimensional spin-1 Heisenberg antiferromagnet

(2015) M. Karolak et al.   PHYSICAL REVIEW B

Density functional plus dynamical mean-field theory of the spin-crossover moleculeFe(phen)2(NCS)2

(2015) Jia Chen et al.   PHYSICAL REVIEW B

Exact Double Counting in Combining the Dynamical Mean Field Theory and the Density Functional Theory

(2015) Kristjan Haule   PHYSICAL REVIEW LETTERS

Covalency and the metal-insulator transition in titanate and vanadate perovskites

(2014) Hung T. Dang et al.   PHYSICAL REVIEW B

Selectively localized Wannier functions

(2014) Runzhi Wang et al.   PHYSICAL REVIEW B

Computing total energies in complex materials using charge self-consistent DFT + DMFT

(2014) Hyowon Park et al.   PHYSICAL REVIEW B

Dimensionality-induced insulator-metal crossover in layered nickelates Lan+1NinO2n+2 (n = 2, 3, and ∞)

(2014) Ting Liu et al.   AIP Advances

Scaling of the transition temperature of hole-doped cuprate superconductors with the charge-transfer energy

(2012) C. Weber et al.   EPL

Origin of the High Néel Temperature inSrTcO3

(2012) Jernej Mravlje et al.   PHYSICAL REVIEW LETTERS

Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions

(2010) Jan Kuneš et al.   COMPUTER PHYSICS COMMUNICATIONS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Orbital Order and Possible Superconductivity inLaNiO3/LaMO3Superlattices

(2008) Jiří Chaloupka et al.   PHYSICAL REVIEW LETTERS