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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)
Research output
Research output per year
2017
2017
2020
2020
2
Article
Research output per year
Research output per year
2 results
Publication Year, Title
(descending)
Publication Year, Title
(ascending)
Title
Type
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Article
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2020
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%
Dipeptide
50%
Approximate Map
50%
2017
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
Soft Matter Physics
100%
Mathematical Method
100%
Dissipative Particle Dynamics
100%
Molecular Dynamics
50%
Equation of Motion
50%