C. Espejo

2D transition metal dichalcogenides

PyProcar: A Python library for electronic structure pre/post-processing

Nonanalyticity, Valley Quantum Phases, and Lightlike Exciton Dispersion in Monolayer Transition Metal Dichalcogenides: Theory and First-Principles Calculations

Effect of strain on electronic and thermoelectric properties of few layers to bulk MoS₂

WannierTools: An open-source software package for novel topological materials

Electron-phonon interactions from first principles

Maximally localized Wannier functions: Theory and applications

Noble‐Metal‐Free Molybdenum Disulfide Cocatalyst for Photocatalytic Hydrogen Production

Graphitic Carbon Nitride (g-C₃N₄)-Based Photocatalysts for Artificial Photosynthesis and Environmental Remediation: Are We a Step Closer To Achieving Sustainability?

Colloquium: Strong-field phenomena in periodic systems

VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code

An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions

Generalized Kasha’s Model: T-Dependent Spectroscopy Reveals Short-Range Structures of 2D Excitonic Systems

Structural, electronic, vibrational, and elastic properties of graphene/MoS2 bilayer heterostructures

Wannier functions approach to van der Waals interactions in ABINIT

Band structure tunability in MoS2under interlayer compression: A DFT andGWstudy