Making Computational Chemistry
Accessible and Efficient

Use for free and accelerate your research immediately with 3600 free seconds of compute time per month
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Computational Chemistry in your Browser

View molecular orbitals, vibrational modes, UV-Visible absorbance and reaction processes directly on the CalcUS Cloud

Calculation launch page of CalcUS

Explore Molecular Possibilities

Compare conformers, evaluate reactions and predict properties

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# Energy (Eh) Rel. energy () Boltzmann Weight at 298K
Calculation launch page of CalcUS

Focus on concepts, not minutae

The user-friendly interface handles input file creation and management so you can concentrate on the bigger picture

What users say

Photo of Nassim Maarouf, a CalcUS Cloud user
Nassim Maarouf
PhD student in Medicinal Chemistry
Université de Montréal
Throughout my research journey, I have come to rely on the exceptional capabilities of CalcUS Cloud for computational modeling of molecules.

CalcUS Cloud, with its powerful semi-empirical xTB calculations, has become an invaluable tool in my work. The platform's user-friendly interface and comprehensive features have greatly enhanced my ability to simulate 3D conformers and analyze bond angles, critical aspects in the field of medicinal chemistry. This has allowed me to simulate 3D structures before investing time in their laboratory synthesis, providing a solid starting point for my experimental work.
CalcUS Cloud is a very important tool for undergraduate and postgraduate courses in computational chemistry and computer science in chemistry due to its easy handling, friendly interface, fast results and visualization of results.

CalcUS Cloud has served chemistry students to learn about the different types of computational calculations at a theory level, the interpretation and management of cloud computing applied to chemistry. In addition, it is very important in investigations of large molecules to explain surface phenomena between chemical systems.
Photo of Hector Fabio Cortes Hernandez, a CalcUS Cloud user
Hector Fabio Cortes Hernandez
Doctor in Chemical Sciences and Research Professor in Chemistry
Universidad Tecnológica de Pereira
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