Combined Force-Frequency Sampling for Simulation of Systems Having Rugged Free Energy Landscapes.
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.9b00883
Abstract: An adaptive, machine-learning based sampling method is presented for simulation of systems having rugged, multi-dimensional free energy landscapes. The method's main strength resides in its ability to learn both from the frequency of visits to… read more here.
Keywords: simulation systems; energy landscapes; systems rugged; energy ... See more keywords
Neutron imaging and molecular simulation of systems from methane and p-xylene
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DOI: 10.1038/s41598-024-85093-6
Abstract: Bulk properties of two-phase systems comprising methane and liquid p-xylene were derived experimentally using neutron imaging and theoretically predicted using molecular dynamics (MD). The measured and predicted methane diffusivity in the liquid, Henry’s law constant,… read more here.
Keywords: simulation systems; neutron imaging; imaging molecular; xylene ... See more keywords
Review of Deep-Ocean High-Pressure Simulation Systems
Sign Up to like & getrecommendations! Published in 2020 at "Marine Technology Society Journal"
DOI: 10.4031/mtsj.54.3.8
Abstract: AbstractDeep-sea technology and equipment are required to explore the oceans and utilize ocean resources in the 21st century. Deep-ocean simulation systems (DOSs) play an essential role in the development of deep-sea equipment. This paper gives… read more here.
Keywords: simulation systems; high pressure; ocean high; deep ocean ... See more keywords