Numbers refer to the paper index in the list of Publications.
"Control algorithm for multiscale flow simulations of water"
E.M. Kotsalis, J.H. Walther, E. Kaxiras and P. Koumoutsakos,
Phys. Rev. E - Rap. Comm. 79 , 045701 (2009).
"Multiscale simulations of complex systems: computation meets reality"
E. Kaxiras and S. Succi,
Sci. Model. Simul. 15 , 59-65 (2008).
"Multiscale simulation of nanobiological flows"
M. Fyta, E. Kaxiras, S. Melchionna, and S. Succi,
Computing in Sci. and Engin. 10 , 10-19 (2008).
"Parallel multiscale modeling of biopolymer dynamics with hydrodynamic correlations"
M. Fyta, J. Sircar, E. Kaxias, S. Melchionna, M. Bernaschi, and S. Succi,
International J. Multiscale Computational Engineering 6 , 25 (2008).
"Multiscale model of electronic behavior and
localization in stretched dry DNA"
R.L. Barnett, P. Maragakis, A. Turner, M. Fyta and E. Kaxiras,
J. Mater. Sci. 42 , 8894-8903 (2007).
"Multiscale coupling of molecular dynamics and hydrodynamics:
Application to DNA translocation through a nanopore"
M.G. Fyta, S. Melchionna, E. Kaxiras and S. Succi,
Multiscale Modeling and Simulation 5 , 1156-1173 (2006).
"From electrons to finite elements:
A concurrent multiscale approach for
metals"
G. Lu, E. Tadmor, and E.Kaxiras,
Phys. Rev. B 73 , 024108 (2005).
"Multiscale simulations in simple metals: A density-functional-based methodology"
N. Choly, G. Lu, W. E and E.Kaxiras,
Phys. Rev. B 71 , 094101 (2005).
"Polarization switching in PbTiO3: an ab initio finite element simulation"
E.B. Tadmor, U.V. Waghmare, G.S. Smith and E. Kaxiras,
Acta Materialia 50 , 2989 (2002).
"Multiscale simulation of silicon nanoindentation"
G.S. Smith, E.B. Tadmor, N. Bernstein and E. Kaxiras,
Acta Materialia 49 , 4089 (2001).
"Applying the lattice Boltzmann equation to multiscale fluid problems"
S. Succi, O. Filippova, G. Smith and E. Kaxiras,
Computing in Science and Engineering 3 , 26 (2001).
"A QM/MM implementation of the self-consistent charge density functional tight binding
(SCC-DFTB) method"
Q. Cui, M. Elstner, E. Kaxiras, T. Frauenheim and M. Karplus,
J. Phys. Chem. B
105 , 569 (2001).
"Multiscale simulation of loading and electrical resistance in silicon nanoindentation"
G.S. Smith, E.B. Tadmor and E. Kaxiras,
Phys. Rev. Lett. 84 , 1260 (2000).
"Concurrent coupling of length scales: methodology and application"
J.Q. Broughton, N. Bernstein, E. Kaxiras and F.F. Abraham, Phys. Rev. B 60 , 2391 (1999).
"Mixed finite element and atomistic formulation for complex crystals"
E. Tadmor, G.S.
Smith and E. Kaxiras, Phys. Rev. B 59 , 235 (1999).
"Spanning the continuum to quantum length scales in a dynamic simulation of brittle
fracture"
F.F. Abraham, J.Q. Broughton, N. Bernstein and E. Kaxiras,
Europhys. Lett. 44 , 783 (1998).
"Spanning the length scales in dynamic simulation"
F.F. Abraham, J.Q. Broughton, N. Bernstein and E. Kaxiras,
Computers in Physics
12 , 538 (1998).
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