JDFTx

JDFTx is a plane-wave density functional theory code designed for electronic structure theory development. One prominent unique capability is the treatment of solvated electronic systems using joint density functional theory. Please see http://jdftx.org for download and compile instructions, tutorials, documentation and citation information.

Features

Electronic DFT
Classical DFT
Solvation models
Wannier functions
Electron-phonon interactions
Hybrid MPI/pthreads parallelization
CUDA support for GPU acceleration

Project Activity

See All Activity >

License

GNU General Public License version 3.0 (GPLv3)

Follow JDFTx

JDFTx Web Site

Other Useful Business Software

Go from Code to Production URL in Seconds

Cloud Run deploys apps in any language instantly. Scales to zero. Pay only when code runs.

Skip the Kubernetes configs. Cloud Run handles HTTPS, scaling, and infrastructure automatically. Two million requests free per month.

Try it free

Rate This Project

User Reviews

Be the first to post a review of JDFTx!

Additional Project Details

Operating Systems

BSD, Cygwin, Linux

Intended Audience

Science/Research

User Interface

Command-line

Programming Language

C++

Related Categories

C++ Chemistry Software, C++ Physics Software

Registered

2012-02-12

Similar Business Software

SDS Manager

SDS Manager is a leading provider of Safety Data Sheet (SDS) management systems, offering one of the largest SDS databases with over 14 million documents available in 25 languages. With SDS Manager, employees can easily access Safety Data Sheets directly from their mobile devices by scanning...

See Software
QBench

The modern, flexible, easy-to-use LIMS. QBench enables our customers to get a LIMS up and running faster. Automate your entire lab with our developer-friendly API, Inventory Management, Customer Portal, Billing, and Quality Management System modules. QBench is a cloud-based Laboratory...

See Software
Lockbox LIMS

A sample tracking, test result capture, and inventory management cloud LIMS for life science research, biotech/NGS, and industrial QC labs. Includes regulatory support for CLIA, HIPAA, Part 11, and ISO 17025. Nothing is more critical to a lab’s success than the quality, security, and...

See Software
HSI Donesafe

HSI Donesafe is a no-code, cloud-based EHS software that simplifies safety, compliance, and risk management, transforming complex processes into user-friendly workflows. Trusted by industries worldwide, Donesafe allows organizations to track, manage, and report on essential EHS functions from...

See Software
BIOVIA TURBOMOLE

BIOVIA TURBOMOLE is a high-performance quantum chemistry software package designed for ab initio electronic structure calculations across molecules, clusters, periodic systems, and solutions. Developed initially by the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, and now...

See Software
RegDesk

RegDesk is a Regulatory Information Management System (RIMS) that helps medical device companies manage global regulatory submissions, product registrations, and compliance in one centralized platform. It streamlines regulatory workflows, organizes regulatory data, and provides global regulatory...

See Software