First-Principles Molecular Dynamics
This scalable first-principles MD algorithm with O(N) complexity and controllable accuracy is capable of simulating systems that were previously impossible with such accuracy.
High-Order Finite Volume Methods
High-resolution finite volume methods are being developed for solving problems in complex phase space geometries, motivated by kinetic models of fusion plasmas.
Qbox
LLNL’s version of Qbox, a first-principles molecular dynamics code, will let researchers accurately calculate bigger systems on supercomputers.
Chandrika Kamath honored as 2023 SIAM fellow
The prestigious fellow designation is a lifetime honorific title and honors SIAM members who have made outstanding contributions to fields served by the organization.
Scientists develop model for more efficient simulations of protein interactions linked to cancer
The new model addresses a problem in simulating RAS behavior, where conventional methods come up short of reaching the time- and length-scales needed to observe biological processes of RAS-related cancers.
Patent for reduced order modeling method boosts lattice design optimization
A new component-wise reduced order modeling method enables high-fidelity lattice design optimization.