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Journal subscriptions may be needed to view article links. Prof. Earl can
also be contacted for reprints of articles.
[24] M. W. Deem, R. S. Pophale, P. A. Cheeseman, and D. J. Earl,
``Computational discovery of new zeolite-like materials,"
J. Phys. Chem. C, DOI: 10.1021/jp906984z (2009) to appear.
Link to article.
[23] F. Yan, C. A. Hixson, and D. J. Earl,
``Computer simulations of linear rigid particles that form
chiral superstructures and tilted smectic phases,"
Soft Matter, 5 (2009) 4477-4483.
Link to article.
[22] C. A. Hixson, J. P. Benigni, and D. J. Earl, ``Solvent-Shift Monte
Carlo: A cluster algorithm for solvated systems,"
Phys. Chem. Chem. Phys., 11 (2009) 6335-6338.
Link to article.
Link to cover art.
[21] F. Yan, C. A. Hixson, and D. J. Earl, ``Self-assembled chiral
superstructures composed of rigid achiral molecules and molecular scale
chiral induction by dopants," Phys. Rev. Lett., 101 (2008)
157801.
Link to article. Included in the October 20th, 2008 edition of
the
Virtual Journal of Nanoscale Science and Technology.
Highlighted in the October, 2008 edition of the
Journal Club for Condensed Matter Physics.
Link to commentary
written by
Randy Kamien (UPenn).
[20] D. J. Earl, A. W. Burton, T. Rea, K. Ong, M. W. Deem, S.-J. Hwang,
and
S. I. Zones, ``Synthesis and Monte Carlo Structure Determination of
SSZ-77: A New Zeolite Topology,"
J. Phys. Chem. C, 112 (2008) 9099-9105.
Link
to article.
Link
to cover art.
[19] D. J. Earl and M. W. Deem, ``Monte Carlo Simulations," in
Methods in Molecular Biology, vol. 443, Molecular Modeling of
Proteins, edited by Andreas Kukol, Humana Press (2007).
Link to article.
[18] D. J. Earl, C. M. Pooley, J. F. Ryder, I. Bredberg and J. M. Yeomans,
``Modeling microscopic swimmers at low Reynolds number,"
J. Chem. Phys., 126 (2007) 064703.
Link to article.
[17] Z. Li, M. C. Johnson, M. Sun, E. T. Ryan, D. J. Earl, W. Maichen, J. I. Martin,
S. Li, C. M. Lew, D. I. Medina, J. Wang, M. W. Deem, M. E. Davis, and Y. Yan,
``Mechanical and Dielectric Properties of Pure-Silica-Zeolites as Low-k Materials,''
Angewandte Chemie Int. Ed., 45 (2006) 6329-6332.
Link to article.
[16] D. J. Earl and M. W. Deem,
``Toward a Database of Hypothetical Zeolite Structures,"
Eduardo Glandt special issue, Ind. & Eng. Chem. Res., 45
(2006) 5449-5454.
Link to article.
[15] V. Gupta, D. J. Earl and M. W. Deem,
``Quantifying influenza vaccine efficacy and antigenic distance,"
Vaccine, 24 (2006) 3881-3888.
Link to article.
[14] J. Sun, D. J. Earl and M. W. Deem,
``Localization and Glassy Dynamics in the Immune System,"
Mod. Phys. Lett. B, 20 (2006) 63-95.
Link to article.
[13] D. J. Earl and M. W. Deem,
``Parallel Tempering: Theory, Applications, and New Perspectives,"
Phys. Chem. Chem. Phys., 7 (2005) 3910-3916.
Link to
article.
(Hot Article)
[12] J. Sun, D. J. Earl and M. W. Deem,
``Glassy Dynamics in the Adaptive Immune Response Prevents Autoimmune Disease,"
Phys. Rev. Lett., 95 (2005) 148104.
Link to article.
(Highlighted in Nature Reviews Immunology).
[11] D. J. Earl and M. W. Deem,
``Markov chains of infinite order and asymptotic satisfaction of balance: Application to the adaptive integration method," David Chandler Festschrift,
J. Phys. Chem. B, 109 (2005) 6701-6704.
Link to article.
[10] D. J. Earl, M. A. Osipov, H. Takezoe, Y. Takanishi and M. R. Wilson,
``Induced and spontaneous deracemization in bent-core liquid
crystal phases and in other phases doped with bent-core
molecules," Phys. Rev. E, 71 (2005) 021706.
Link to article.
[9] D. J. Earl and M. W. Deem,
``Evolvability is a selectable trait," Proc. Natl. Acad. Sci. USA,
101 (2004) 11531-11536. Link to
article.
(News and Commentary in Heredity)
(Highlighted in Nature Reviews Genetics).
A top 100 most read paper in PNAS in 2004.
[8] D. J. Earl and M. W. Deem,
``Optimal Allocation of Replicas to Processors in Parallel Tempering
Simulations,'' Hans C. Andersen Festschrift, J. Phys. Chem. B, 108
(2004) 6844-6849.
Link to article.
[7] D. J. Earl and M. R. Wilson,
``Calculations of helical twisting powers from intermolecular torques,''
J. Chem. Phys., 120 (2004) 9679-9683.
Link to article.
[6] D. J. Earl and M. R. Wilson,
``Predictions of molecular chirality and helical twisting powers: A theoretical
study,'' J. Chem. Phys., 119 (2003) 10280-10288.
Link to article.
[5] D. J. Earl, ``Predictions of helical twisting powers and molecular
chirality," Ph.D. thesis, University of Durham (2003). Contact for
information.
[4] M. P. Neal, M. Solymosi, M. R. Wilson and D. J. Earl,
``Helical twisting power and scaled chiral indices,'' J. Chem. Phys.,
119 (2003) 3567-3573.
Link to article.
[3] M. Solymosi, R. J. Low, M. Grayson, M. P. Neal, M. R. Wilson and D. J. Earl,
``Scaled chiral indices for ferroelectric liquid crystals,'' Ferroelectrics,
277 (2002) 169-176.
[2] M. R. Wilson and D. J. Earl,
``Calculating the helical twisting powers of chiral dopants,'' J.
Mater. Chem., 11 (2001) 2672-2677.
Link to article.
[1] D. J. Earl, J. Ilnytskyi and M. R. Wilson,
``Computer simulations of soft repulsive spherocylinders,'' Mol. Phys.,
99 (2001) 1719-1726.
Link to article.
Refereed Conference Proceedings
[2] P. A. Cheeseman, M. W. Deem, D. J. Earl, and W. I. Whitson. ``Adapting an Application
for Use in a Condor Based Parameter Sweep on TeraGrid."
237-241, TeraGrid 2007 Conference, Madison, WI, USA.
[1] E. Walker, D. J. Earl, and M. W. Deem. ``How to Run a Million Jobs in Six Months on the NSF TeraGrid."
149-154, TeraGrid 2007 Conference, Madison, WI, USA.
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© 2006 David J. Earl,
Dept. of Chemistry, University of Pittsburgh
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