Researchers at EPFL have developed 'Synthegy', a framework that uses large language models to evaluate and guide chemical synthesis planning and reaction mechanism analysis through natural-language ...
Designing molecules is one of chemistry's most complex challenges. From life-saving drugs to advanced materials, each ...
Advanced computational software is streamlining quantum chemistry research by automating many of the processes of running molecular simulations. The complicated design of these software packages, ...
The most demanding calculations in quantum chemistry can now be solved with graphics processing unit (GPU) supercomputers. A ...
The Nobel Prizes are embracing the AI hype. A day after the Physics prize was given to two scientists for foundational work on machine learning, the Nobel Prize in Chemistry has been awarded to three ...
Computational chemistry encompasses the simulation and theoretical modelling of chemical systems, providing insights into reaction dynamics, electronic structure, and molecular interactions. Density ...
Theoretical and computational chemistry form a synergistic field that harnesses the rigorous principles of quantum mechanics alongside sophisticated numerical simulations to elucidate molecular ...
The Transferring Exascale Computational Chemistry to Cloud Computing Environment and Emerging Hardware Technologies (TEC4) project is accelerating the transition of electronic structure methods to ...
Computing hasn’t changed fundamentally since the advent of the abacus 4,500 years ago. But that could change imminently as the world ushers in the quantum computer, a radically new type of computing ...
UT Austin student Alexia Hartzell has been named a recipient of the prestigious Department of Energy award. Alexia Hartzell, a student studying physical chemistry at The University of Texas at Austin, ...
Our department offers doctorate opportunities in a range of traditional research areas, including analytical, inorganic, organic, and physical chemistry, as well as biochemistry. Within these areas, ...
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