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Data-Driven Coarse-Graining using Space-Time Diffusion Maps
Leimkuhler, Benedict
(Principal Investigator)
Bethune, Iain
(Co-investigator)
School of Mathematics
College of Science and Engineering
Overview
Fingerprint
Research output
(2)
Project Details
Status
Finished
Effective start/end date
1/01/17
→
31/12/19
Funding
EPSRC:
£369,544.00
EPSRC:
£11,484.00
View all
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Fingerprint
Explore the research topics touched on by this project. These labels are generated based on the underlying awards/grants. Together they form a unique fingerprint.
Nonequilibrium
Chemical Compounds
100%
Shear deformation
Engineering & Materials Science
93%
Relaxation
Engineering & Materials Science
87%
Shear
Chemical Compounds
85%
Numerical methods
Engineering & Materials Science
82%
Molecular dynamics
Engineering & Materials Science
70%
Shear viscosity
Engineering & Materials Science
66%
Polymer melts
Engineering & Materials Science
63%
Research output
Research output per year
2017
2017
2020
2020
2
Article
Research output per year
Research output per year
Local and Global Perspectives on Diffusion Maps in the Analysis of Molecular Systems
Trstanova, Z.
,
Leimkuhler, B.
&
Lelievre, T.
,
31 Jan 2020
,
In:
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences.
476
,
2233
,
24 p.
, 20190036.
Research output
:
Contribution to journal
›
Article
›
peer-review
Open Access
File
alanine
100%
sampling
65%
Dipeptides
65%
Langevin Dynamics
61%
Local Equilibrium
56%
Assessing numerical methods for molecular and particle simulation
Shang, X.
,
Kroger, M.
&
Leimkuhler, B.
,
7 Dec 2017
,
In:
Soft Matter.
13
,
p. 8565-8578
14 p.
Research output
:
Contribution to journal
›
Article
›
peer-review
Open Access
File
Nonequilibrium
100%
Shear deformation
93%
Relaxation
87%
Shear
85%
Numerical methods
82%