Keyword Analysis & Research: jdftx
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JDFTx: Main Page
http://jdftx.org/
WEBWith truncated Coulomb interactions , JDFTx enables accurate calculations of systems of any dimensionality from 0 to 3: molecules, wires, slabs / 2D materials and bulk. A key feature of JDFTx is Joint Density Functional Theory (JDFT) , a framework for ab initio calculations of electronic systems in contact with liquid environments.
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JDFTx: Software for joint density-functional theory
https://www.sciencedirect.com/science/article/pii/S2352711017300559
WEBJan 1, 2017 · JDFTx is an open-source DFT software designed specifically with the goals of coupling electronic DFT with coarse-grained theories to bridge atomic and system length scales, and of facilitating the rapid development of new classes of such combined theories.
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JDFTx: Getting started
https://jdftx.org/GettingStarted.html
WEBRunning the code. Now that you have a working jdftx executable (and optionally jdftx_gpu) in the directory <path-to-JDFTx>/build, add the directory <path-to-JDFTx>/build to your PATH variable. You might also want to add the scripts directory <path-to-JDFTx> /jdftx/scripts (or <path-to-JDFTx>/jdftx-git/jdftx/scripts) to the PATH variable.
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JDFTx: Tutorials
https://jdftx.org/Tutorials.html
WEBInterfaces with other codes Additional resources Additional resources Developer's guide Developer's guide
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JDFTx: software for joint density functional theory - GitHub
https://github.com/shankar1729/jdftx
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[1708.03621] JDFTx: software for joint density-functional theory
https://ar5iv.labs.arxiv.org/html/1708.03621
WEBJDFTx is a fully-featured open-source electronic DFT software designed specifically to facilitate rapid development of new theories, models and algorithms. Using an algebraic formulation as an abstraction layer, compact C++11 code automatically performs well on diverse hardware including GPUs (Graphics Processing Units).
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JDFTx: Software for joint density-functional theory - SoftwareX
https://www.softxjournal.com/article/S2352-7110(17)30055-9/fulltext
WEBJDFTx is a fully-featured open-source electronic DFT software designed specifically to facilitate rapid development of new theories, models and algorithms. Using an algebraic formulation as an abstraction layer, compact C++11 code automatically performs well on diverse hardware including GPUs (Graphics Processing Units).
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JDFT calculations in practice with JDFTx - beast-echem.org
https://beast-echem.org/workshops/2022/jdftx.pdf
WEBJDFTx features I JDFTx is a fully-featured plane-wave DFT code I Focus here: capabilities for electrochemistry I We’ll cover the underlined: small fraction of what JDFTx can do! I Many more tutorials on https://jdftx.org Electronic I Exchange-correlation: semilocal, meta-GGA, EXX-hybrids, DFT+U, DFT-D2, LibXC
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JDFTx: software for joint density-functional theory | NIST
https://www.nist.gov/publications/jdftx-software-joint-density-functional-theory
WEBOct 18, 2017 · JDFTx is a fully-featured open-source electronic DFT software designed specifically to facilitate rapid development of new theories, models and algorithms in compact-yet-efficient C++ code based on an algebraic formula- tion.
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JDFTx: Using JDFTx
http://jdftx.org/Using.html
WEBUsing JDFTx . Tutorials; Input file documentation; Helper scripts; Interfaces with other codes; Additional resources; JDFTx 1.7.0 JDFTx ...
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