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Octopus (software)
Accessing the Accuracy of Density Functional Theory Through Structure
Density Functional Theory
Octopus: a First-Principles Tool for Excited Electron-Ion Dynamics
1-DFT Introduction
Berkeleygw
The CECAM Electronic Structure Library and the Modular Software Development Paradigm
Accelerating Performance and Scalability with NVIDIA Gpus on HPC Applications
Application Profiling at the HPCAC High Performance Center Pak Lui 157 Applications Best Practices Published
The CECAM Electronic Structure Library and the Modular Software Development Paradigm
Lawrence Berkeley National Laboratory Recent Work
Quantum Chemical Calculations of NMR Parameters
The Soul Is an Octopus the Soul and the Ancient Ideas Body an Is O Life of Octopus
Stochastic Quantum Molecular Dynamics for Finite and Extended
Cdt-2019-Day2
Deliverable 2.1 Deliverable Type: Report Delivered in Month 13– October2016
Author's Personal Copy
Final Report 8Th International Abinit
Kanad Hpc Application Reference Manual
Top View
Intro to Real-Space, Linear-Response, and TD Methods July 19, 2011 1 / 62 Outline
Transport Phenomena in Nanomechanical Systems for Molecular Manufacturing
Dr. Sammer M. Tekarli 5024 Havasu Dr
Arxiv:2106.03872V1 [Cond-Mat.Mtrl-Sci] 7 Jun 2021 Misses Part of the Physics Involved in the Description of Sands of Lines of Code
Tutorial: Octopus + Berkeleygw
Arxiv:1102.0258V1
Optical Absorption and Electronic Spectra of Chlorophylls a and B
Octopus, a Computational Framework for Exploring Light-Driven Phenomena and Quantum Dynamics in Extended and Finite Systems
Wavelet-Based DFT Calculations on Massively Parallel Hybrid
Wavelets for Density-Functional Theory
Time-Dependent Density-Functional Theory in Massively Parallel Computer Architectures: the Octopus Project
Notes on Pseudopotential Generation
From Nwchem to Nwchemex: Evolving with the Computational
Time-Dependent Density Functional Theory (TDDFT)
You Need to Know About Bigdft Basis-Set Solving KS Equations
PRACE Application Enabling Work at EPCC
Recent Developments of the ABINIT Software Package
Isurvey - Online Questionnaire Generation from the University of Southampton
Optical Absorption and Electronic Spectra of Chlorophylls a and B
TDDFT As a Tool in Chemistry II
Optical and Transport Properties of Organic Molecules: Methods and Applications by David Alan Strubbe
Eigenproblems in MBPT and Practical Considerations
SALMON: Scalable Ab-Initio Light-Matter Simulator for Optics and Nanoscience
Quantum Chemistry (QC) on Gpus March 2018 Overview of Life & Material Accelerated Apps
Introduction to Octopus: a Real-Space (TD)DFT Code
Integration of ESL Modules Into Electronic-Structure Codes
Intro to Real-Space, Linear-Response, and TD Methods August 12, 2013 1 / 44 Motivation
Polarizable Continuum Model Implementation in the Octopus Code
Key Concepts in Density Functional Theory from the Many Body Problem to the Kohn-Sham Scheme
Applications of Large-Scale Density Functional Theory in Biology
UC Merced UC Merced Previously Published Works
A Modified Ehrenfest Formalism for Efficient Large-Scale Ab Initio Molecular Dynamics
Octopus: a Tool for the Application of Time-Dependent Density Functional Theory
Arxiv:1203.1739V2
Supplementary Information for Tailoring the Opto-Electronic Response of Graphene Nanoflakes by Size and Shape Optimization
First Principles Modeling with Octopus: Massive Parallelization Towards Petaflop Computing and More
A User's Guide for Atompaw Code
Time-Dependent Density Functional Theory and How It Is Used
MPI Profiling
Yambo: an Ab Initio Tool for Excited State Calculations
Octopus: a Tool for the Application of Time-Dependent Density Functional Theory”
A Real-Time Time-Dependent Density Functional Theory Method for Calculating Linear and Nonlinear Dynamic Optical Response
Bigdft Approach to High Performance Computing
SPARC: Accurate and Efficient Finite-Difference Formulation And
Massively Parallel First-Principles Simulation of Electron Dynamics In
RT-TDDFT, LR-TDDFT) and Classical Electrodynamics (F.I
Modified Ehrenfest Formalism: a New Approach for Large Scale Ab-Initio
D8.1.2 Performance Model of Community Codes Final
Claudio Attaccalite –
Kohn-Sham Scheme, Band Structure and Optical Spectra