Deep Learning is Revolutionizing Computational Chemistry at Microsoft Thanks to recent breakthroughs at Microsoft Research , scientists may be able to forecast the properties of new molecules with laboratory-level accuracy, all from behind a computer screen. By marrying... AI research computational chemistry deep learning density functional theory machine learning materials science molecular modeling
How NVIDIA, AWS, IonQ and AstraZeneca Are Using Quantum Computing to Revolutionize Drug Discovery Drug discovery has long been defined by painstaking research and drawn-out timelines. Now, a partnership between IonQ , AstraZeneca , AWS , and NVIDIA is reimagining what’s possible in pharmaceutical ... AWS computational chemistry drug development hybrid workflows IonQ NVIDIA pharmaceuticals quantum computing
Scalable Chemistry Simulations: Quantum Supercomputing’s Breakthrough Moment Simulating intricate chemical reactions may not be limited by computational power any longer thanks to Quantinuum’s revolutionary, error-corrected, end-to-end computational chemistry workflow. This le... AI integration computational chemistry error correction innovation materials science quantum computing scientific research supercomputing
Open Molecules 2025: Transforming Chemistry with AI-Ready Data The scientific world is abuzz with the debut of Open Molecules 2025 (OMol25), a dataset poised to redefine what's possible in computational chemistry and artificial intelligence. Developed through a c... AI models computational chemistry datasets DFT drug discovery machine learning materials science molecular simulation