Electron density prediction for a four-million-atom aluminum system using machine learning, deemed to be infeasible using traditional DFT method. × Researchers from Michigan Tech and the University of ...
5don MSN
Simplifying quantum simulations—symmetry can cut computational effort by several orders of magnitude
Quantum computer research is advancing at a rapid pace. Today's devices, however, still have significant limitations: For example, the length of a quantum computation is severely limited—that is, the ...
Orbital-free approach enables precise, stable, and physically meaningful calculation of molecular energies and electron ...
As part of our laboratory's research initiatives, we are conducting advanced research on the computational modeling and optimization of heterogeneous catalysts for various catalytic processes. This ...
Matthew Addicoat receives funding from EPSRC and the Royal Society. Using computers to carry out protein design and for predicting protein structures are two sides of the same coin. They are ...
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