J
Junchao Xia
Researcher at Temple University
Publications - 43
Citations - 895
Junchao Xia is an academic researcher from Temple University. The author has contributed to research in topics: Magnetic field & Replica. The author has an hindex of 19, co-authored 42 publications receiving 805 citations. Previous affiliations of Junchao Xia include Clark University & University of Iowa.
Papers
More filters
Journal ArticleDOI
How Does Water Affect the Dynamics of the Room-Temperature Ionic Liquid 1-Hexyl-3-methylimidazolium Hexafluorophosphate and the Fluorescence Spectroscopy of Coumarin-153 When Dissolved in It?
TL;DR: It is found that water is closely associated with the anions and that its presence enhances both the translational and rotational dynamics of the IL.
Journal ArticleDOI
The cooling rate dependence of crystallization for liquid copper: A molecular dynamics study
TL;DR: In this article, the second-moment approximation of tight-binding scheme has been used to study the relationship between the resulting crystallization microstructure of the liquid copper and the cooling rate.
Journal ArticleDOI
Asynchronous replica exchange software for grid and heterogeneous computing
Emilio Gallicchio,Junchao Xia,William F. Flynn,Baofeng Zhang,Sade Samlalsingh,Ahmet Mentes,Ronald M. Levy +6 more
TL;DR: The architecture of a software for performing asynchronous replica exchange molecular simulations on volunteered computing grids and heterogeneous high performance clusters is described and applications of the software for the modeling of association equilibria of supramolecular and macromolecular complexes are illustrated.
Journal ArticleDOI
Comparing alchemical and physical pathway methods for computing the absolute binding free energy of charged ligands.
TL;DR: The performance of the potential of mean force method and the double decoupling method for computing absolute binding free energies for charged ligands at an allosteric site of HIV-1 integrase, which has emerged in recent years as a promising target for developing antiviral therapy.
Journal ArticleDOI
Simulating Replica Exchange: Markov State Models, Proposal Schemes, and the Infinite Swapping Limit.
TL;DR: A Markov state model of replica exchange (MSMRE) is constructed using long molecular dynamics simulations of a host-guest binding system as an example, in order to study how different implementations of the replica exchange cycle can affect the sampling efficiency.