Effortlessly run fast calculations on your atomic system in three simple steps. All you need is a file with your atomic system and you are ready to compute invaluable information.
No dependencies and installations
No coding and scripting
No prior computational experience needed
step 1
Upload a file
- Upload your atomic system in any file format.
- NanoCalc supports formats relevant for all industries.
step 2
Choose a method
- Choose a method for running your calculations.
- NanoCalc has a very large and still growing collection of methods available.
step 3
View your results
- Your personal dashboard displays your results.
- NanoCalc evaluates your results and evaluates how good your results are.
For experimentalists
Looking for theoretical data to support your experimental work? Our user-friendly platform bridges the gap between theory and practice. Whether you're a seasoned experimentalist or a curious learner, our intuitive interface and guided simulations make computational chemistry a seamless journey.
For academia
Elevate your academic pursuits with our streamlined calculator. Our intuitive interface opens doors to advanced simulations. Our comprehensive tools provide a seamless avenue to explore molecular landscapes, analyze chemical interactions, and predict complex phenomena.
For all non-experts
Our user-friendly platform is tailored for individuals without an extensive background in the field of computational chemistry and simulations. Whether you're a researcher exploring innovative materials or a curious mind seeking to understand molecular behavior, our platform makes computational chemistry an enlightening experience for all.
Energies & Geometry Optimization
Seamlessly run energy minimization and optimize the geometry of your atomic system using a wide range of methods. NanoCalc has parameters for any type of system and allows one-click export of optimized geometries.
Reaction Paths and Transition States
Study chemical reactions and kinetic properties using various reaction path algorithms. Explore transition states and export geometries with a single click.
Molecular Dynamics
Study the physical motion and explore conformational space of atoms and molecules with molecular dynamics simulations. Explore dynamic properties governed by the laws of thermodynamics by a broad range of atomic forcefields and semi-empirical methods.
