UC Davis Mathematics

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October 2019
Breakthrough in Molecular Dynamics
Prof. Niels Jensen, professor of Mathematics and of Mechanical and Aerospace Engineering, has developed a new algorithm to run simulations of molecular motions. The new approach allows for up to a fourfold increase in computing power. Potential applications include materials science and pharmaceutical research. The paper appeared in the journal Molecular Physics and has been incorporated into the widely used software package LAMMPS.