Yanting Wang

Dr. Yanting Wang

orcid

Research Focus & Metrics

Academic Career Length

24Years (2003-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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16 August 2005 in Journal of the American Chemical Society
Verified
Journal Article
Closed access
YWYanting Wang
Yanting Wang
GVGregory A. Voth
Gregory A. Voth

27 January 2020 in Nature Nanotechnology
Verified
Journal Article
Closed access
PDF file
YZYufan Zhou
Yufan Zhou
MSMao Su
Mao Su
XYXiaofei Yu
Xiaofei Yu
YZYanyan Zhang
Yanyan Zhang
JWJun-Gang Wang
Jun-Gang Wang
ZZZihua Zhu
Zihua Zhu

27 February 2007 in The Journal of Physical Chemistry B
Verified
Journal Article
Closed access
WJWei Jiang
Wei Jiang
YWYanting Wang
Yanting Wang
GVGregory A. Voth
Gregory A. Voth

27 June 2008 in The Journal of Chemical Physics
Verified
Journal Article
Closed access
PDF file
WNW. G. Noid
W. G. Noid
PLPu Liu
Pu Liu
YWYanting Wang
Yanting Wang
JCJhih-Wei Chu
Jhih-Wei Chu
GAGary S. Ayton
Gary S. Ayton
GVGregory A. Voth
Gregory A. Voth
The multiscale coarse-graining (MS-CG) method [S. Izvekov and G. A. Voth, J. Phys. Chem. B 109, 2469 (2005); J. Chem. Phys. 123, 134105 (2005)] employs a variational principle to determine an interaction potential for a CG model from simulations of an atomically detailed model of the same system. The companion paper proved that, if no restrictions regarding the form of the CG interaction potential are introduced and if the equilibrium distribution of the atomistic model has been adequately sampled, then the MS-CG variational principle determines the exact many-body potential of mean force (PMF) governing the equilibrium distribution of CG sites generated by the atomistic model. In practice, though, CG force fields are not completely flexible, but only include particular types of interactions between CG sites, e.g., nonbonded forces between pairs of sites. If the CG force field depends linearly on the force field parameters, then the vector valued functions that relate the CG forces to these parameters determine a set of basis vectors that span a vector subspace of CG force fields. The companion paper introduced a distance metric for the vector space of CG force fields and proved that the MS-CG variational principle determines the CG force force field that is within that vector subspace and that is closest to the force field determined by the many-body PMF. The present paper applies the MS-CG variational principle for parametrizing molecular CG force fields and derives a linear least squares problem for the parameter set determining the optimal approximation to this many-body PMF. Linear systems of equations for these CG force field parameters are derived and analyzed in terms of equilibrium structural correlation functions. Numerical calculations for a one-site CG model of methanol and a molecular CG model of the EMIM+∕NO3− ionic liquid are provided to illustrate the method.

24 August 2006 in The Journal of Physical Chemistry B
Verified
Journal Article
Closed access
YWYanting Wang
Yanting Wang
GVGregory A. Voth
Gregory A. Voth

13 October 2007 in Accounts of Chemical Research
Verified
Journal Article
Closed access
YWYanting Wang
Yanting Wang
WJWei Jiang
Wei Jiang
TYTianying Yan
Tianying Yan
GVGregory A. Voth
Gregory A. Voth