G8 Multilateral Research Funding INGENIOUS
Lead Research Organisation:
University of Cambridge
Department Name: Engineering
Abstract
Abstracts are not currently available in GtR for all funded research. This is normally because the abstract was not required at the time of proposal submission, but may be because it included sensitive information such as personal details.
People |
ORCID iD |
Sergey Karabasov (Principal Investigator) | |
Tom Hynes (Co-Investigator) |
Publications
Nerukh D
(2013)
Water-Peptide Dynamics during Conformational Transitions.
in The journal of physical chemistry letters
Title | Multiscale methods and codes for bridging continuum and atomistic simulations |
Description | The method is based on a new idea how to couple atomistic and continuum calculations within a single solution using analogy with two-phase flow modelling. This allows automatic satisfaction of important conservation laws and flexibility of application of the multi-resolution 'zoom' function, form continuum to atomistic. |
Type Of Material | Improvements to research infrastructure |
Year Produced | 2012 |
Provided To Others? | Yes |
Impact | The new multiscale method we developed lead to several new project applications in the area of computational chemistry and life sciences, one of which has already materialized (Senior Leverhulm Fellowship for Dr Nerukh). |
URL | http://www.nerukh.aston.ac.uk/G8/index.html |
Description | Mutliscale modelling of liquids |
Organisation | RIKEN |
Department | Institute of Physical and Chemical Research (RIKEN) |
Country | Japan |
Sector | Public |
PI Contribution | We have ported and tested algorithms developed in INGENIOUS project to a super computer of RIKEN Quantitative Biology Group |
Collaborator Contribution | RIKEN provided us technical expertise for supercomputing and the computing time. |
Impact | Joint publications |
Start Year | 2012 |