JCS Kadupitiya, GC Fox… - The International Journal …, 2020 - journals.sagepub.com
Simulating the dynamics of ions near polarizable nanoparticles (NPs) using coarse-grained models is extremely challenging due to the need to solve the Poisson equation at every …
P Gepner - 2021 16th Conference on Computer Science and …, 2021 - ieeexplore.ieee.org
Machine learning is one of the hottest topics in IT industry as well as in academia. Some of the IT leaders and scientists believe that this is going to totally revolutionise the industry …
G Fox, S Jha - 2019 15th International Conference on eScience …, 2019 - ieeexplore.ieee.org
We present a taxonomy of research on Machine Learning (ML) applied to enhance simulations together with a catalog of some activities. We cover eight patterns for the link of …
Our project is at the interface of Big Data and HPC–High-Performance Big Data computing and this paper describes a collaboration between 7 collaborating Universities at Arizona …
Our project is at the interface of Big Data and HPC--High-Performance Big Data computing and this paper describes a collaboration between 7 collaborating Universities at Arizona …
Molecular dynamics simulations accelerated by high-performance computing methods are powerful tools for investigating and extracting the microscopic mechanisms characterizing …
Molecular dynamics (MD) simulations accelerated by high-performance computing (HPC) methods are powerful tools for investigating and extracting the microscopic mechanisms …