Collaboration with Nandini Ananth on GPU-Accelerated NAMD published in JCP August 28, 2024 This JCP article showcases our work collaborating with Nandini Ananth's group to accelerate the LSC-IVR nonadiabatic dynamics method by developing an interface with TeraChem. Code available on GitHub... Read More Collaboration with Nandini Ananth on GPU-Accelerated NAMD published in JCP
