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Molecule discovery 

Xatoms utilizes AI and quantum chemistry to accurately predict 3D models of photocatalytic structures, aiding in cleaning polluted waters across the globe.

African Kid drinking water from a tap

Bridging the gap between underrepresented groups and clean water


Water is the essence of life, and clean water is our global responsibility. At Xatoms, we harness the power of artificial intelligence to revolutionize the discovery of novel photocatalytic molecules. Our mission is to create a world where safe, clean, and sustainable water sources are accessible to everyone.

AI Prediction 

Our AI-driven approach allows us to rapidly identify and validate potential photocatalytic molecules, significantly reducing the time and resources required for traditional trial-and-error experimentation.

Molecule Discovery

By leveraging advanced machine learning algorithms, we can analyze vast amounts of chemical data, identify promising photocatalytic candidates, and rapidly prototype new molecules.

Water Purification

Xatoms’ groundbreaking photocatalytic molecules have the potential to revolutionize the way we treat and purify water. 

Solving Global Environmental Issues

Our solutions harness the power of sunlight to break down a wide range of harmful contaminants, ensuring safe and clean drinking water for communities worldwide.

Our CEO Diana Virgovicova winning prize from swedish royal familly

My water story

My name is Diana Virgovicova. 

At the age of 17, I discovered a new type of molecule and was awarded the most prestigious water award from the Swedish Royal Family. When I was 14, I went backpacking in India with my mother, where I saw black rivers in the suburbs of Mumbai, prompting me to take action. Upon returning to my hometown in Slovakia, I contacted a local university and began researching technologies for cleaning polluted water. I then learned about quantum chemistry software, which took me three years to master.

Using quantum chemistry models, I created hundreds of photocatalyst models—substances that generate radicals upon absorbing sunlight, which then clean polluted water. Three years later, I developed a new type of molecule, leading to my recognition by the Swedish Royal Family and a full Lester B. Pearson International Scholarship to study computer engineering at the University of Toronto. However, my journey did not end there.

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Now or never

1.5 billion 

People globally don't have access to clean water.

3.5 million

People die from waterborne diseases yearly.


Children die every day due to diarrhea linked to polluted water.

2 million

Tons of sewage is dumped into the world’s water bodies daily.

Our Partners

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Are You Ready to clean water?

Collaborate with us

Are you passionate about clean water and sustainable solutions? We are always looking for research partners, investors, and collaborators who share our vision for a better world. Get in touch with us to explore partnership opportunities and join the Xatoms revolution.

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