Keyword Analysis & Research: jdftx
Keyword Research: People who searched jdftx also searched
Search Results related to jdftx on Search Engine
-
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.
DA: 61 PA: 68 MOZ Rank: 96
-
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.
DA: 96 PA: 62 MOZ Rank: 62
-
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.
DA: 65 PA: 72 MOZ Rank: 1
-
JDFTx: Tutorials
https://jdftx.org/Tutorials.html
WEBInterfaces with other codes Additional resources Additional resources Developer's guide Developer's guide
DA: 47 PA: 81 MOZ Rank: 68
-
JDFTx: software for joint density functional theory - GitHub
https://github.com/shankar1729/jdftx
WEBYou signed in with another tab or window. Reload to refresh your session. You signed out in another tab or window. Reload to refresh your session. You switched accounts on another tab or window.
DA: 12 PA: 40 MOZ Rank: 72
-
[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).
DA: 67 PA: 37 MOZ Rank: 48
-
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).
DA: 23 PA: 7 MOZ Rank: 54
-
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
DA: 36 PA: 64 MOZ Rank: 63
-
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.
DA: 56 PA: 69 MOZ Rank: 20
-
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 ...
DA: 20 PA: 30 MOZ Rank: 23