… elements, bioinorganic chemistry and applied computational chemistry. His research group is growing …

A leap forward in AI models Scientists around the world can now begin training their own MLIPs on OMol25. They can also use the FAIR lab’s open-access universal model, also released today. The universal model was trained on OMol25 and FAIR lab’s other open …

… Enhancing Drug Development Through Computational Chemistry Development of Targeted Therapies … outcomes. Personalising Therapy Computational chemistry supports the advancement of … successful implementation of computational chemistry methods. Training programs …

… leads a team specializing in computational chemistry, including modeling and deciphering molecular … their pioneering work to democratize computational chemistry research will inspire similar initiatives …

… to revolutionize the field of computational chemistry by making it accessible to … Credits: Credit: Liu Group Keywords Computational chemistry, molecular simulations, machine learning, educational …

… leads a team specializing in computational chemistry, including modeling and deciphering molecular …

… now relying on a different computational chemistry technique, also derived from quantum … illustrates the powerful synergy between computational chemistry and deep learning, offering fresh …

… now relying on a different computational chemistry technique, also derived from quantum … illustrates the powerful synergy between computational chemistry and deep learning, offering fresh …

… advantage of the parallel computational chemistry software developed by the … the role of specialized computational chemistry workflows in understanding their … by the “Transferring exascale computational chemistry to cloud computing environment and …