Recent Publications

CMSE Publications

September 8, 2017
Self-Driven Droplet Powered By Active Nematics

Faculty member Tony Gao gets paper published on the cover of current issue of Physical Review Letters.

August 2, 2017
A Conservative, Entropic Multispecies BGK Model

The Murillo Group has recently released a new paper published by The Journal of Statistical Physics on August, 2017 about Conservative, Entropic Multispecies BGK Model.

Link: https://link.springer.com/article/10.1007/s10955-017-1824-9

June 15, 2017
Time Coupled Diffusion Maps

Cornell Universiry Library published a paper by faculty member Matthew J. Hirn on 15 August, 2016.

Link: https://arxiv.org/abs/1608.03628

June 8, 2017
A Generalized Ewald Decomposition for Screened Coulomb Interactions

CMSE researchers Gautham Dharuman & Michael Murillo have a new paper published by The Journal of Chemical Physics for their work involving Ewald method and medium-range interactions for charged-particle systems.

Link: http://dx.doi.org/10.1063/1.4973842

June 8, 2017
Wavelet Scattering Regression of Quantum Chemical Energies

Multiscale Modeling and Simulation has published the following paper by Matthew Hirn, Stephane Mallat, & Nicolas Poilvert for their work in Wavelet Scattering on 2 May 2017.

Link: http://epubs.siam.org/doi/abs/10.1137/16M1075454

June 7, 2017
Multiple Ligand Unbinding Pathways and Ligand-Induced Destabilization Revealed by WExplore

The Biophysical Journal had published a paper by Alex Dickson & Samual D. Lotz, published on 28 February 2017 for their work on Ligand Pathways.

Link: http://www.sciencedirect.com/science/article/pii/S0006349517300450

June 7, 2017
Kinetics of Ligand Binding Through Advanced Computational Approaches: A Review

Current Topics in Medicinal Chemistry featured a new paper by Alex Dickson, Pratyush Tiwary, & Harish Vashisth on 14 April 2017 for their work in Kinetics of Ligand Binding.

Link: https://www.ncbi.nlm.nih.gov/pubmed/28413946

June 7, 2017
Optimal Allosteric Stabilization Sites using Contact Stabilization Analysis

The Journal of Computational Chemistry featured a new paper by Alex Dickson, Christopher T. Bailey, & John Karanicolas, on 5 June 2017.

Link: http://onlinelibrary.wiley.com/doi/10.1002/jcc.24517/full

May 2, 2017
Rapidly Computing Sparse Legendre Expansions via Sparse Fourier Transforms

Xianfeng Hu, Mark Iwen, & Hyejin Kim authored a new paper for their work in Rapid Computing published by Numer. Algor. (2017) 74: 1029.
DOI: 10.1007/s11075-016-0184-x

Link: http://users.math.msu.edu/users/markiwen/Papers/Legendre_SUBMITTED.pdf

April 12, 2017
Computing Minimal Interpolants in C^1,1(R^d)

Ariel Herbert-Voss, Matthew J. Hirn, & Frederick McCollum published a paper in Revista Mathematica Iberoamericana for their work on Computing Minimal Interpolants.

Link: http://www.ems-ph.org/journals/show_abstract.php?issn=0213-2230&vol=33&iss=1&rank=2

April 10, 2017
Electron-ion Temperature Equilibration in Hydrogen Plasmas within the Coupled-mode Regime

The Murillo Group has released a new paper published by Physical Review E on April 10th, 2017 about Hydrogen Plasmas within the Coupled-mode Regime.

Link: https://journals.aps.org/pre/abstract/10.1103/PhysRevE.95.043202

March 27, 2017
CMSE faculty Michael Murillo's paper was published by the American Physical Society's Physical Review Letters.

M. S. Murillo & M. Marciante published a new paper on Thermodynamic and Kinetic Properties in Phys. Rev. Lett. 118, 025001 – 10 January 2017
Link: https://doi.org/10.1103/PhysRevLett.118.025001
 

May 30, 2016
Ligand Release Pathways Obtained with WExplore: Residence Times and Mechanisms

Alex Dickson & Samuel D Lotz published a new paper for their work in Ligand Pathways on 26 May 2016. in J. Phys. Chem. B

DOI: 10.1021/acs.jpcb.6b04012

Link: http://pubs.acs.org/doi/abs/10.1021/acs.jpcb.6b04012