Related references
Note: Only part of the references are listed.Efficient GW calculations in two dimensional materials through a stochastic integration of the screened potential
Alberto Guandalini et al.
NPJ COMPUTATIONAL MATERIALS (2023)
High-throughput computational materials screening and discovery of optoelectronic semiconductors
Shulin Luo et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2021)
High-throughput rapid experimental alloy development (HT-READ)
Kenneth S. Vecchio et al.
ACTA MATERIALIA (2021)
AiiDAlab - an ecosystem for developing, executing, and sharing scientific workflows
Aliaksandr Yakutovich et al.
COMPUTATIONAL MATERIALS SCIENCE (2021)
Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows
Martin Uhrin et al.
COMPUTATIONAL MATERIALS SCIENCE (2021)
A review on optoelectronic device applications of 2D transition metal carbides and nitrides
Xiwei Zhang et al.
MATERIALS & DESIGN (2021)
Towards fully automatized GW band structure calculations: What we can learn from 60.000 self-energy evaluations
Asbjorn Rasmussen et al.
NPJ COMPUTATIONAL MATERIALS (2021)
Common workflows for computing material properties using different quantum engines
Sebastiaan P. Huber et al.
NPJ COMPUTATIONAL MATERIALS (2021)
Wannier90 as a community code: new features and applications
Giovanni Pizzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2020)
Reproducibility in G0W0 calculations for solids
Tonatiuh Rangel et al.
COMPUTER PHYSICS COMMUNICATIONS (2020)
Automated high-throughput Wannierisation
Valerio Vitale et al.
NPJ COMPUTATIONAL MATERIALS (2020)
Materials Cloud, a platform for open computational science
Leopold Talirz et al.
SCIENTIFIC DATA (2020)
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance
Sebastiaan P. Huber et al.
SCIENTIFIC DATA (2020)
Many-body perturbation theory calculations using the yambo code
D. Sangalli et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2019)
Computational Screening of Layered Materials for Multivalent Ion Batteries
Zihe Zhang et al.
ACS OMEGA (2019)
High-Detectivity Flexible Near-Infrared Photodetector Based on Chalcogenide Ag2Se Nanoparticles
Won-Yong Lee et al.
ADVANCED OPTICAL MATERIALS (2019)
Review on Quasi One-Dimensional CdSe Nanomaterials: Synthesis and Application in Photodetectors
Weifeng Jin et al.
NANOMATERIALS (2019)
Relative Abundance of Z2 Topological Order in Exfoliable Two-Dimensional Insulators
Antimo Marrazzo et al.
NANO LETTERS (2019)
In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage Applications
Rocio Mercado et al.
CHEMISTRY OF MATERIALS (2018)
The PSEUDODOJO: Training and grading a 85 element optimized norm-conserving pseudopotential table
M. J. van Setten et al.
COMPUTER PHYSICS COMMUNICATIONS (2018)
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
Nicolas Mounet et al.
NATURE NANOTECHNOLOGY (2018)
The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals
Sten Haastrup et al.
2D MATERIALS (2018)
High-Throughput Computational Assessment of Previously Synthesized Semiconductors for Photovoltaic and Photoelectrochemical Devices
Korina Kuhar et al.
ACS ENERGY LETTERS (2018)
Precision and efficiency in solid-state pseudopotential calculations
Gianluca Prandini et al.
NPJ COMPUTATIONAL MATERIALS (2018)
GW100: A Plane Wave Perspective for Small Molecules
Emanuele Maggio et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Advanced capabilities for materials modelling with QUANTUM ESPRESSO
P. Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2017)
The atomic simulation environment-a Python library for working with atoms
Ask Hjorth Larsen et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2017)
Data Mining for New Two- and One-Dimensional Weakly Bonded Solids and Lattice-Commensurate Heterostructures
Gowoon Cheon et al.
NANO LETTERS (2017)
Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials
Michael Ashton et al.
PHYSICAL REVIEW LETTERS (2017)
Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment
Qimin Yan et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2017)
Photocatalysis: Basic Principles, Diverse Forms of Implementations and Emerging Scientific Opportunities
Shasha Zhu et al.
ADVANCED ENERGY MATERIALS (2017)
High-throughput Identification and Characterization of Two-dimensional Materials using Density functional theory
Kamal Choudhary et al.
SCIENTIFIC REPORTS (2017)
Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows
Kiran Mathew et al.
COMPUTATIONAL MATERIALS SCIENCE (2017)
Automation methodologies and large-scale validation for GW: Towards high-throughput GW calculations
M. J. van Setten et al.
PHYSICAL REVIEW B (2017)
AiiDA: automated interactive infrastructure and database for computational science
Giovanni Pizzi et al.
COMPUTATIONAL MATERIALS SCIENCE (2016)
Reproducibility in density functional theory calculations of solids
Kurt Lejaeghere et al.
SCIENCE (2016)
Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment
Wei Chen et al.
JOURNAL OF MATERIALS CHEMISTRY C (2016)
Graphene and Two-Dimensional Materials for Optoelectronic Applications
Andreas Bablich et al.
ELECTRONICS (2016)
Speeding up GW Calculations to Meet the Challenge of Large Scale Quasiparticle Predictions
Weiwei Gao et al.
SCIENTIFIC REPORTS (2016)
Efficient many-body calculations for two-dimensional materials using exact limits for the screened potential: Band gaps of MoS2, h-BN, and phosphorene
Filip A. Rasmussen et al.
PHYSICAL REVIEW B (2016)
Optimization algorithm for the generation of ONCV pseudopotentials
Martin Schlipf et al.
COMPUTER PHYSICS COMMUNICATIONS (2015)
FireWorks: a dynamic workflow system designed for high-throughput applications
Anubhav Jain et al.
CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE (2015)
Pathways for solar photovoltaics
Joel Jean et al.
ENERGY & ENVIRONMENTAL SCIENCE (2015)
High-throughput exploration of alloying as design strategy for thermoelectrics
Sandip Bhattacharya et al.
PHYSICAL REVIEW B (2015)
Band gaps and dielectric functions of cubic and hexagonal diamond polytypes calculated by many-body perturbation theory
Shang-Peng Gao
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2015)
The high-throughput highway to computational materials design
Stefano Curtarolo et al.
NATURE MATERIALS (2013)
Quasiparticle GW calculations for solids, molecules, and two-dimensional materials
Falco Huser et al.
PHYSICAL REVIEW B (2013)
Analytic evaluation of the electronic self-energy in the GW approximation for two electrons on a sphere
Arno Schindlmayr
PHYSICAL REVIEW B (2013)
Optimized norm-conserving Vanderbilt pseudopotentials
D. R. Hamann
PHYSICAL REVIEW B (2013)
High-Throughput Computational Screening of New Li-Ion Battery Anode Materials
Scott Kirklin et al.
ADVANCED ENERGY MATERIALS (2013)
AFLOW: An automatic framework for high-throughput materials discovery
Stefano Curtarolo et al.
COMPUTATIONAL MATERIALS SCIENCE (2012)
Computational screening of perovskite metal oxides for optimal solar light capture
Ivano E. Castelli et al.
ENERGY & ENVIRONMENTAL SCIENCE (2012)
Identification of Potential Photovoltaic Absorbers Based on First-Principles Spectroscopic Screening of Materials
Liping Yu et al.
PHYSICAL REVIEW LETTERS (2012)
Maximally localized Wannier functions: Theory and applications
Nicola Marzari et al.
REVIEWS OF MODERN PHYSICS (2012)
G0W0 band gap of ZnO: Effects of plasmon-pole models
M. Stankovski et al.
PHYSICAL REVIEW B (2011)
yambo: An ab initio tool for excited state calculations
Andrea Marini et al.
COMPUTER PHYSICS COMMUNICATIONS (2009)
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Ultrafast graphene photodetector
Fengnian Xia et al.
NATURE NANOTECHNOLOGY (2009)
Accurate GW self-energies in a plane-wave basis using only a few empty states:: Towards large systems
Fabien Bruneval et al.
PHYSICAL REVIEW B (2008)
Exact Coulomb cutoff technique for supercell calculations
Carlo A. Rozzi et al.
PHYSICAL REVIEW B (2006)
Electronic excitations: density-functional versus many-body Green's-function approaches
G Onida et al.
REVIEWS OF MODERN PHYSICS (2002)