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Discover the latest AI research & find out how AI, Machine Learning and advanced algorithms impact our lives, our jobs and the economy, all thanks to expert articles that include discussion on the potential, limits and consequences of AI.


Quantum chemistry, Cheminformatics, Chemistry, Computational chemistry, Theoretical chemistry, Quantum mechanics

@erichorvitz shared
On Jul 7, 2022
On the kickoff of the AI4Science program Microsoft Research. Reflection shared by @ChrisBishopMSFT https://t.co/qtAzlMXSk6 @MSFTResearch #AI4Science
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AI4Science to empower the fifth paradigm of scientific discovery

Over the coming decade, deep learning looks set to have a transformational impact on the natural sciences. The consequences are potentially far-reaching and could dramatically improve our ability to model and predict natural phenomena over widely varying scales of space and time. ...

@erichorvitz shared
On Jul 7, 2022
On the kickoff of the AI4Science program Microsoft Research. Reflection shared by @ChrisBishopMSFT https://t.co/qtAzlMXSk6 @MSFTResearch #AI4Science
Open
AI4Science to empower the fifth paradigm of scientific discovery

AI4Science to empower the fifth paradigm of scientific discovery

Over the coming decade, deep learning looks set to have a transformational impact on the natural sciences. The consequences are potentially far-reaching and could dramatically improve our ...

Microsoft lab to ‘supercharge molecular science’ with machine learning

Microsoft lab to ‘supercharge molecular science’ with machine learning

Using the latest advances in AI, the new Microsoft Research lab will dive into the details of molecular properties and behaviours.

Machine learning, molecular simulation, and the opportunity for societal good with Chris Bishop and Max Welling

Machine learning, molecular simulation, and the opportunity for societal good with Chris Bishop and Max Welling

Episode 129 | July 20, 2021 - Unlocking the challenge of molecular simulation has the potential to yield significant breakthroughs in how we tackle such societal issues as climate change, ...

A chemist’s view on R&D digitalisation in materials innovation

A chemist’s view on R&D digitalisation in materials innovation

Join us on June 24 to discover how the integration of machine learning with physics based modelling and enterprise informatics transforms materials discovery

An artificial intelligence algorithm can learn the laws of quantum mechanics

An artificial intelligence algorithm can learn the laws of quantum mechanics

Artificial intelligence can be used to predict molecular wave functions and the electronic properties of molecules. This innovative AI method developed by a team of researchers at the ...

Artificial Intelligence System Learns the Fundamental Laws of Quantum Mechanics

Artificial Intelligence System Learns the Fundamental Laws of Quantum Mechanics

Deep machine learning method can predict molecular wave functions and electronic properties of molecules This algorithm could drastically speed-up future simulation efforts in the design of ...

AI Algorithm To Speed Up Drug Molecule Design

AI Algorithm To Speed Up Drug Molecule Design

Artificial Intelligence (AI) can be used to predict molecular wave functions and the electronic properties of molecules. This innovative AI method could be used to speed-up the design of ...

Artificial intelligence algorithm can learn the laws of quantum mechanics

Artificial intelligence algorithm can learn the laws of quantum mechanics

Artificial intelligence can be used to predict molecular wave functions and the electronic properties of molecules. This innovative AI method could be used to speed-up the design of drug ...

Applications Scientist, Life Science, Japan

Applications Scientist, Life Science, Japan

Schrödinger is on the cutting edge of computer-aided drug discovery and materials science. We're looking to hire an Applications Scientist to join us!

About Quantum AI – AI along with Quantum Mechanics

About Quantum AI – AI along with Quantum Mechanics

In the fast-paced, confusing universe of quantum science (quantum mechanics), Artificial Intelligence (AI)'s are utilized to assist scientific experts with ascertaining significant ...

Leveraging Physics and Quantum Computing to Accelerate Drug Discovery

Leveraging Physics and Quantum Computing to Accelerate Drug Discovery

Robert Marino, CEO and co-founder of Qubit Pharmaceuticals, discusses the potential of physics to accelerate drug discovery. 

Accelerated Computing Holds the Key to Democratized Drug Discovery

Accelerated Computing Holds the Key to Democratized Drug Discovery

Published in Nature Machine Intelligence, a panel of experts shares a vision for the future of biopharma featuring collaboration between ML and drug discovery powered by GPUs.

MIT Researchers Develop Neural Networks for Computational Chemistry Using SDSC, PSC Supercomputers

MIT Researchers Develop Neural Networks for Computational Chemistry Using SDSC, PSC Supercomputers

Even though computational chemistry represents a challenging arena for machine learning, a team of researchers from the Massachusetts Institute of Technology (MIT) may have made it easier. ...

AI Breakthrough Speeds Up Quantum Chemistry

AI Breakthrough Speeds Up Quantum Chemistry

Caltech’s OrbNet deep learning tool outperforms state-of-the-art solutions.

2020 Machine Learning for Molecules Workshop

2020 Machine Learning for Molecules Workshop

To reach this goal, it is necessary to have a dialogue between domain experts and machine learning researchers to ensure ML has impact in real world molecular discovery. Unfortunately there ...

A forward view for Digital Discovery: the scientific challenges of the twenty-first century require accelerated discovery approaches

A forward view for Digital Discovery: the scientific challenges of the twenty-first century require accelerated discovery approaches

In his inaugural Editorial, the Editor-in-Chief of Digital Discovery introduces the new, emerging field of ‘accelerated science’ and explains what his expectations are of the articles to be ...

Quantum computing’s killer app will turbocharge R&D in multiple industries

Quantum computing’s killer app will turbocharge R&D in multiple industries

Unfeasible chemistry and materials science calculations will soon be possible with quantum computing. Which industries will be impacted and how can you prepare?

Quantum Complexity Tamed by Machine Learning

Quantum Complexity Tamed by Machine Learning

If only scientists understood exactly how electrons act in molecules, they’d be able to predict the behavior of everything from experimental drugs to high-temperature superconductors.

17 Extraordinary Quantum Chemists Working In Our Industry

17 Extraordinary Quantum Chemists Working In Our Industry

The Quantum Insider (TQI) is the leading online resource dedicated exclusively to Quantum Computing.