ABINIT
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- ABINIT: Overview and Focus on Selected Capabilities
- GPU Acceleration of Plane-Wave Codes Using SIRIUS Library
- An Introduction to Ab Initio Molecular Dynamics Simulations
- Report on the 4Thinternational ABINIT Developer Workshop
- Time-Dependent Density-Functional Theory in Massively Parallel Computer Architectures: the Octopus Project
- Daubechies Wavelets As a Basis Set for Density Functional
- Lab 2: Handout Quantum-Espresso: a First-Principles Code
- Arxiv:1609.00252V1
- Computational Chemistry a Teaser Introduction
- Open Chemistry: Restful Web Apis, JSON, Nwchem and the Modern Web Application Marcus D
- From Nwchem to Nwchemex: Evolving with the Computational
- LECTURE 12 : a Survey of Ab Initio Based MD - Finding Approximations - Density Functional Theory - Functionals - Car Parrinello MD
- You Need to Know About Bigdft Basis-Set Solving KS Equations
- The MULTIBINIT Software Project J
- Recent Developments of the ABINIT Software Package
- The ABINIT Project : Software Engineering Techniques Meet Simulation of Materials and Nanosystems
- Arxiv:2006.01270V1 [Physics.Comp-Ph] 1 Jun 2020 a Review of the Present Status, Recent Enhancements, and Applicability of the SIESTA Program Is Presented
- Supporting Information: Enhancing the Electronic Dimensionality of Hybrid Organic-Inorganic Frameworks by Hydrogen Bonded Molecular Cations