DFTBaby

electronic structure calculations with tight-binding density functional theory

Project Samples

Results of a tight-binding calculation with DFTBaby can be visualized graphically.

Excited state calculations with TD-DFTB can be analyzed by looking at the absorption spectra, transition densities and difference densities..

Project Activity

See All Activity >

License

Other License

Follow DFTBaby

DFTBaby Web Site

Other Useful Business Software

Gemini 3 and 200+ AI Models on One Platform

Access Google's best plus Claude, Llama, and Gemma. Fine-tune and deploy from one console.

Build, govern, and optimize agents and models with Gemini Enterprise Agent Platform.

Start Free

Rate This Project

User Reviews

Be the first to post a review of DFTBaby!

Additional Project Details

Operating Systems

Linux

Intended Audience

Science/Research

User Interface

Programming Language

C, Fortran, Python

Related Categories

Fortran Chemistry Software, Python Chemistry Software, C Chemistry Software

Registered

2015-11-05

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
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
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
Infor M3

Efficiently executing the complex processes of enterprise manufacturers and distributors. Infor M3 is a cloud-based, manufacturing and distribution ERP system that leverages the latest technologies to provide an exceptional user experience and powerful analytics in a multicompany, multicountry,...

See Software
LabWare LIMS

14,000 laboratories. 125 countries. 98% customer satisfaction! Improve your lab's productivity, throughput, efficiency, data integrity, and compliance with LabWare's suite of laboratory automation solutions. LabWare offers flexible deployment options. Laboratories who are eager to deploy...

See Software
Metso Outotec HSC Chemistry

Essential software toolkit for mineral processing professionals for process research, development, and analysis. Carry out thermodynamic and mineral processing calculations on a standard computer quickly and easily. Essential software toolkit for process research, development, design, and...

See Software