Quantum Espresso Citation
First-principles calculations of lattice dynamics and
First principle investigation of the electronic and
Structural, electronic, optical, vibrational and transport
Mechanical properties of Ni-based solid solution alloys: A
Table 1 from QUANTUM ESPRESSO: a modular and open-source
nanoHUB org - Resources: ECE 695NS Lecture 18: Using Quantum
Mechanical properties of carbyne: preview & related info
First Step : Identifying Pseudopotentials - PDF
Quantum Espresso Hands-on Tutorial - PDF
Software - TACC User Portal
E-CAM Software Porting and Benchmarking Data I
Structural, electronic properties, and quantum capacitance
arXiv:1607 04738v1 [cond-mat mtrl-sci] 16 Jul 2016
Winmostar tutorial
DFT production codes - Gökhan SÜRÜCÜ
OnDemand Desktop App: RStudio Server | Ohio Supercomputer Center
User Guide
Winmostar tutorial
Enabling Faster Material Science Modeling: Accelerated
Structural, electronic properties, and quantum capacitance
Quantum ESPRESSO - MaX Centre of Excellence
Kogence
Theoretical study of CaO, CaS and CaSe via first-principles
The atomic simulation environment—a Python library for
A first principles method to simulate electron mobilities in
Quantum Capacitance Estimations of Pyrrolic Rich Graphene
Ab initio theory and modeling of water | PNAS
nanoHUB org - Resources: High Throughput DFT Calculation
arXiv:1806 05609v2 [cond-mat mtrl-sci] 7 Dec 2018
Frontiers | Electronic Structure and Band Alignments of
New developments in the quantum ESPRESSO software
Figure 2 from QUANTUM ESPRESSO: a modular and open-source
Density Functional Study of Electronic, Magnetic and
CALYPSO - An Efficient Structure Prediction Method and
McCode: Package repository
Frontiers | Electronic Structure and Band Alignments of
Fast and accurate quantum Monte Carlo for molecular crystals
An implementation of spin–orbit coupling for band structure
arXiv:1806 05609v2 [cond-mat mtrl-sci] 7 Dec 2018
BandUP: Band Unfolding code for Plane-wave based calculations
Efficient Generation of K-point Grids for Quantum ESPRESSO
Materials | Free Full-Text | Fingerprints of sp1 Hybridized
Overview — USPEX
An implementation of spin–orbit coupling for band structure
A Performance Study of Quantum ESPRESSO's PWscf Code on
Powder diffraction and crystal structure prediction identify
Quantum ESPRESSO - MaX Centre of Excellence
Universe | Free Full-Text | Dark Energy Constraints from
Density Functional Study of Electronic, Magnetic and
Self-consistent continuum solvation for optical absorption
Theoretical study of CaO, CaS and CaSe via first-principles
Improved Parallelization of Quantum Espresso
New developments in the quantum ESPRESSO software
QUANTUM ESPRESSO: a modular and open-source software project
Puzzling phonon dispersion curves and vibrational mode
Structure simulation and study of electronic and dielectric
Quantum Espresso Quick Start First Step : Identifying
Atomsk - Index
quantum ESPRESSO: first-principles simulations at the
Summary of parallelization levels in QUANTUM ESPRESSO
Figure 1 from Adaptively Compressed Exchange Operator
SIESTA - MaX Centre of Excellence
PBE and HSE06 band structures of GaAs | QuantumWise 2016
Translation Of Siesta Pseudopotential To Vasp Format
Figure 4 from QUANTUM ESPRESSO: a modular and open-source
PDF) Codoping goes Nano: Structural and Optical Properties
A Performance Study of Quantum ESPRESSO's PWscf Code on
Ase quantum espresso | Quantum Espresso: How to calculation
Novamene: A new class of carbon allotropes | Heliyon
Scalability of Quantum ESPRESSO on E5-2670 v3 (Haswell
First-Principles Study of Chlorine Adsorption on Clean
New developments in the quantum ESPRESSO software
PBE and HSE06 band structures of GaAs | QuantumWise 2016
Topological Metal of NaBi with Ultralow Lattice Thermal
Density Functional Study of Electronic, Magnetic and
Open Access Journals
Detection of Light Dark Matter With Optical Phonons in Polar
Physicists Reverse Time Using Quantum Computer - Gökhan SÜRÜCÜ
Assessment of two hybrid van der Waals density functionals
Fullerene and nanotube growth: new insights using first
EPW: Electron–phonon coupling, transport and superconducting
Provenance, workflows, and crystallographic tools in
Ab initio theory and modeling of water | PNAS
Frontiers | Electronic Structure and Band Alignments of
User'
A DFT study of adsorption of imidazole, triazole, and
User's Guide for Quantum | manualzz com
The Kitchin Research Group
Open Access Journals
Quantum Espresso Verbosity
PDF] Calculation of Phonon Dispersions on the Grid Using
Winmostar tutorial
Density functional theory in the solid state | Philosophical
Effect of Hubbard U on the Electronic Properties of
User Guide
PyMOL - Wikipedia
Engineering the Pore Size of Pillared-Layer Coordination
Charge Distribution in YBa2Cu3O7 and YBa2Cu4O8 by Density
Zeila Zanolli (@ZeilaZanolli) | Twitter