Welcome to atomistica.online

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Our Mission

Hello everybody, we are Sanja and Stevan Armaković and welcome to the official web site of the atomistica.online project.

We are researchers and teachers at the Faculty of Sciences, University of Novi Sad, Serbia. We are extensively applying atomistic calculations in our research, and within this project, we aim to generate useful online tools and resources for beginners in the area of molecular modeling.

What is atomistica.online?

Atomistica.online is a comprehensive online molecular modeling platform that offers a diverse array of tools for atomistic calculations. This platform includes applications like the ORCA input generator, calculators for various properties, the possibility to analyze output files by simply uploading your output files, etc. A standout feature of atomistica.online is the capability to perform semiempirical calculations using xTB and MOPAC2016 programs directly within your web browser, eliminating the need for installation or maintenance. The platform also facilitates task automation with renowned Multiwfn and SHERMO programs, enabling users to produce publication-ready figures effortlessly. Additionally, we provide a desktop application for managing and monitoring ORCA calculations, and GUI for xtb program. Our latest online application is the Online Packmol.

What is the future of atomistica.online?

Looking ahead, atomistica.online is committed to developing more user-friendly online applications for performing atomistic calculations and result analysis. Part of our vision includes creating an interactive molecular modeling course designed for beginners, with approximately one-third already completed and a foundational course on molecular modeling available for free on our website

Work with us

We invite collaborations and partnerships. Despite our niche focus, atomistica.online has garnered significant interest, as evidenced by a paper published in the “Molecular Simulation” journal, which has received nearly 40 citations in under a year. If you’re developing molecular-related tools (synthesis, characterization, analysis, etc.), atomistica.online can be a potent platform for showcasing your work. Moreover, if you create computing resources suitable for atomistic calculations, we are open to testing and reviewing your products.