Fluids and electrolytes under confinement in single-digit nanopores

NR Aluru, F Aydin, MZ Bazant, D Blankschtein… - Chemical …, 2023‏ - ACS Publications
Confined fluids and electrolyte solutions in nanopores exhibit rich and surprising physics
and chemistry that impact the mass transport and energy efficiency in many important …

The Abinit project: Impact, environment and recent developments

X Gonze, B Amadon, G Antonius, F Arnardi… - Computer Physics …, 2020‏ - Elsevier
Abinit is a material-and nanostructure-oriented package that implements density-functional
theory (DFT) and many-body perturbation theory (MBPT) to find, from first principles …

Intralayer charge-transfer moiré excitons in van der Waals superlattices

MH Naik, EC Regan, Z Zhang, YH Chan, Z Li, D Wang… - Nature, 2022‏ - nature.com
Moiré patterns of transition metal dichalcogenide heterobilayers have proved to be an ideal
platform on which to host unusual correlated electronic phases, emerging magnetism and …

Giant second-harmonic generation in ferroelectric NbOI2

I Abdelwahab, B Tilmann, Y Wu, D Giovanni… - Nature …, 2022‏ - nature.com
Implementing nonlinear optical components in nanoscale photonic devices is challenged by
phase-matching conditions requiring thicknesses in the order of hundreds of wavelengths …

Quantum ESPRESSO toward the exascale

P Giannozzi, O Baseggio, P Bonfà, D Brunato… - The Journal of …, 2020‏ - pubs.aip.org
Q uantum ESPRESSO is an open-source distribution of computer codes for quantum-
mechanical materials modeling, based on density-functional theory, pseudopotentials, and …

Electron–phonon physics from first principles using the EPW code

H Lee, S Poncé, K Bushick, S Ha**azar… - npj Computational …, 2023‏ - nature.com
EPW is an open-source software for ab initio calculations of electron–phonon interactions
and related materials properties. The code combines density functional perturbation theory …

From DFT to machine learning: recent approaches to materials science–a review

GR Schleder, ACM Padilha, CM Acosta… - Journal of Physics …, 2019‏ - iopscience.iop.org
Recent advances in experimental and computational methods are increasing the quantity
and complexity of generated data. This massive amount of raw data needs to be stored and …

Interlayer electronic coupling on demand in a 2D magnetic semiconductor

NP Wilson, K Lee, J Cenker, K **e, AH Dismukes… - Nature Materials, 2021‏ - nature.com
When monolayers of two-dimensional (2D) materials are stacked into van der Waals
structures, interlayer electronic coupling can introduce entirely new properties, as …

Optical absorption of interlayer excitons in transition-metal dichalcogenide heterostructures

E Barré, O Karni, E Liu, AL O'Beirne, X Chen… - Science, 2022‏ - science.org
Interlayer excitons, electron-hole pairs bound across two monolayer van der Waals
semiconductors, offer promising electrical tunability and localizability. Because such …

Curved neuromorphic image sensor array using a MoS2-organic heterostructure inspired by the human visual recognition system

C Choi, J Leem, M Kim, A Taqieddin, C Cho… - Nature …, 2020‏ - nature.com
Conventional imaging and recognition systems require an extensive amount of data storage,
pre-processing, and chip-to-chip communications as well as aberration-proof light focusing …