Efthimios Kaxiras

发表

Efthimios Kaxiras, E. Kaxiras, 2001, Computing in Science & Engineering.

Parallel in time approximation of the lattice Boltzmann method for laminar flows

Efthimios Kaxiras, Amanda Peters Randles, E. Kaxiras, 2014, J. Comput. Phys..

A Spatio-temporal Coupling Method to Reduce the Time-to-Solution of Cardiovascular Simulations

Efthimios Kaxiras, Amanda Peters Randles, E. Kaxiras, 2014, 2014 IEEE 28th International Parallel and Distributed Processing Symposium.

Multiscale Simulation of Cardiovascular flows on the IBM Bluegene/P: Full Heart-Circulation System at Red-Blood Cell Resolution

Massimo Bernaschi, Sauro Succi, Mauro Bisson, 2010, 2010 ACM/IEEE International Conference for High Performance Computing, Networking, Storage and Analysis.

Coupling Lattice Boltzmann with Atomistic Dynamics for the multiscale simulation of nano-biological flows

Sauro Succi, Efthimios Kaxiras, Simone Melchionna, 2007, 0710.1272.

Computational caches

Margo I. Seltzer, Ryan P. Adams, Efthimios Kaxiras, 2013, SYSTOR '13.

Applying the lattice Boltzmann equation to multiscale fluid problems

Sauro Succi, Greg Smith, Efthimios Kaxiras, 2001, Comput. Sci. Eng..

Materials theory, simulations, and parallel algorithms

Rajiv K. Kalia, Priya Vashishta, Efthimios Kaxiras, 1996 .

ACRES: An Efficient Method for First-Principles Electronic Structure Calculations of Complex Systems

Efthimios Kaxiras, Hanchul Kim, U. V. Waghmare, 2000 .

Long-Time Dynamics through Parallel Trajectory Splicing.

Danny Perez, Efthimios Kaxiras, Amos Waterland, 2016, Journal of chemical theory and computation.

Identification of defects at the interface between 3C‐SiC quantum dots and a SiO2 embedding matrix

Thomas Frauenheim, Efthimios Kaxiras, Márton Vörös, 2012 .

Machine learning study of two-dimensional magnetic materials

Wei Chen, Efthimios Kaxiras, Amir Yacoby, 2019 .

A Lattice Boltzmann Simulation of Hemodynamics in a Patient-Specific Aortic Coarctation Model

Hanspeter Pfister, Efthimios Kaxiras, Moritz Bächer, 2012, STACOM.

LAN: A Materials Notation for Two-Dimensional Layered Assemblies

Alexander M. Rush, Marios Mattheakis, Georgios A. Tritsaris, 2019, J. Chem. Inf. Model..

Multiscale Simulation of Nanobiological Flows

Sauro Succi, Efthimios Kaxiras, Simone Melchionna, 2008, Computing in Science & Engineering.

Representations in neural network based empirical potentials.

Ekin D. Cubuk, Efthimios Kaxiras, Amos Waterland, 2017, The Journal of chemical physics.

Multiscale Coupling of Molecular Dynamics and Hydrodynamics: Application to DNA Translocation through a Nanopore

Sauro Succi, Efthimios Kaxiras, Simone Melchionna, 2006, Multiscale Model. Simul..

Graphene epsilon-near-zero plasmonic crystals

Marios Mattheakis, Efthimios Kaxiras, Matthias Maier, 2019, NANOCOM.

Multiphysics simulations

Emil M. Constantinescu, Barbara I. Wohlmuth, Charbel Farhat, 2013, HiPC 2013.

Spanning the length scales in dynamic simulation

Noam Bernstein, Efthimios Kaxiras, Farid F. Abraham, 1998 .

A flexible high-performance Lattice Boltzmann GPU code for the simulations of fluid flows in complex geometries

Massimo Bernaschi, Sauro Succi, Massimiliano Fatica, 2010 .

Adaptive coordinate, real-space electronic structure calculations on parallel computers☆

Efthimios Kaxiras, Gil Zumbach, N. A. Modine, 1996 .

Machine Learning Prediction of H Adsorption Energies on Ag Alloys

Efthimios Kaxiras, Matthew M Montemore, Wei Chen, 2019, J. Chem. Inf. Model..

Multiple Epidemic Wave Model of the COVID-19 Pandemic: Modeling Study

Efthimios Kaxiras, George Georgios Neofotistos, E. Kaxiras, 2020, Journal of medical Internet research.

Materials theory, simulations, and parallel algorithms : symposium held November 27-December 1, 1995, Boston, Massachusetts, U.S.A.

Efthimios Kaxiras, 1996 .

Effects of Knudsen diffusivity on the effective reactivity of nanoporous catalyst media

Sauro Succi, Efthimios Kaxiras, Andrea Montessori, 2016, J. Comput. Sci..

A multi-scale numerical approach to model two-dimensional layered materials

Efthimios Kaxiras, Shiang Fang, Stephen Carr, 2019 .

Machine Learning With Observers Predicts Complex Spatiotemporal Behavior

Marios Mattheakis, Efthimios Kaxiras, Johanne Hizanidis, 2018, Front. Phys..

Virtual Design and Testing of Materials: A Multiscale Approach

Rob Phillips, Emily A. Carter, Michael Ortiz, 2006 .

Hydrokinetic approach to large-scale cardiovascular blood flow

Massimo Bernaschi, Sauro Succi, Efthimios Kaxiras, 2010, Comput. Phys. Commun..

Predicting outcomes of catalytic reactions using machine learning.

Efthimios Kaxiras, Robert Hoyt, Cynthia M. Friend, 2019 .

A flexible high‐performance Lattice Boltzmann GPU code for the simulations of fluid flows in complex geometries

Massimo Bernaschi, Sauro Succi, Massimiliano Fatica, 2010, Concurr. Comput. Pract. Exp..

Neural Network Potentials for Twisted Few-Layer Materials

Efthimios Kaxiras, Emine Kucukbenli, 2020 .

Compression of Wannier functions into Gaussian-type orbitals

Efthimios Kaxiras, Athmane Bakhta, Eric Cancès, 2018, Comput. Phys. Commun..

Performance Analysis of the Lattice Boltzmann Model Beyond Navier-Stokes

William Gropp, Jeff R. Hammond, Vivek Kale, 2013, 2013 IEEE 27th International Symposium on Parallel and Distributed Processing.

Multiscale Hemodynamics Using GPU Clusters

Massimo Bernaschi, Sauro Succi, Mauro Bisson, 2012 .

MUPHY: A parallel high performance MUlti PHYsics/Scale code

Massimo Bernaschi, Sauro Succi, Efthimios Kaxiras, 2008, 2008 IEEE International Symposium on Parallel and Distributed Processing.

Real-Time TD-DFT with Classical Ion Dynamics: Methodology and Applications.

Efthimios Kaxiras, Robert A Hoyt, Grigory Kolesov, 2016, Journal of chemical theory and computation.

Symposium Proceedings Materials Theory, Simulations, and Parallel Algorithms Held in Boston, Massachusetts on 27 November - 1 December 1995. Volume 408,

Rajiv K. Kalia, Priya Vashishta, Efthimios Kaxiras, 1996 .

Multiscale simulations of complex systems: computation meets reality

Efthimios Kaxiras, Sauro Succi, E. Kaxiras, 2008 .

Developing Accurate and Transferable Artificial Neural Network Potentials for Li-Si Alloys

Ekin D. Cubuk, Efthimios Kaxiras, Brad D. Malone, 2015 .

Multiscale Modeling of Biopolymer Translocation Through a Nanopore

Sauro Succi, Efthimios Kaxiras, Simone Melchionna, 2007, International Conference on Computational Science.

MUPHY: A parallel MUlti PHYsics/scale code for high performance bio-fluidic simulations

Massimo Bernaschi, Sauro Succi, Efthimios Kaxiras, 2009, Comput. Phys. Commun..

Physical Symmetries Embedded in Neural Networks pdf

Marios Mattheakis, Efthimios Kaxiras, Marco Di Giovanni, 2019, ArXiv.

Unsupervised machine learning on atomistic configurations: examples on amorphous defects and energy landscapes

Andrea J. Liu, Samuel S. Schoenholz, Efthimios Kaxiras, 2015 .

Modeling zinc in biomolecules with the self consistent charge‐density functional tight binding (SCC‐DFTB) method: Applications to structural and energetic analysis

Thomas Frauenheim, Qiang Cui, Efthimios Kaxiras, 2003, J. Comput. Chem..

High performance WTe2-MoS2in-plane heterojunction Tunnel Field Effect Transistors

Efthimios Kaxiras, Philippe Dollfus, Shiang Fang, 2018, 2018 48th European Solid-State Device Research Conference (ESSDERC).

Modeling the effect of the vaccination campaign on the Covid-19 pandemic

Marios Mattheakis, Efthimios Kaxiras, Mattia Angeli, 2021, Chaos, Solitons & Fractals.

Structural role of RKS motifs in chromatin interactions: a molecular dynamics study of HP1 bound to a variably modified histone tail.

Efthimios Kaxiras, Dimitrios G Papageorgiou, E. Kaxiras, 2012, Biophysical journal.

Hydrodynamic correlations in the translocation of a biopolymer through a nanopore: theory and multiscale simulations.

Sauro Succi, Efthimios Kaxiras, Simone Melchionna, 2008, Physical review. E, Statistical, nonlinear, and soft matter physics.

Electron-phonon interaction in ultrasmall-radius carbon nanotubes

Efthimios Kaxiras, Eugene Demler, Ryan Barnett, 2003, cond-mat/0305006.

Electric-Field Dependence of the Effective Dieletric Constant in Graphene Materials

Efthimios Kaxiras, Elton J. G. Santos, 2013 .

Design of Dye Acceptors for Photovoltaics from First-Principles Calculations

Efthimios Kaxiras, Michael Grätzel, E. Kaxiras, 2011 .

Graphene nanoFlakes with large spin.

Efthimios Kaxiras, E. Kaxiras, S. Meng, 2008, Nano letters.

Implanted neural network potentials: Application to Li-Si alloys

Ekin D. Cubuk, Efthimios Kaxiras, Brad D. Malone, 2018 .

Tuning electronic properties of novel metal oxide nanocrystals using interface interactions: MoO3 monolayers on Au(111)

Efthimios Kaxiras, Juergen Biener, Cynthia M. Friend, 2005 .

Lithium-assisted Plastic Deformation of Silicon Electrodes in Lithium-ion Batteries: a First-principles Theoretical Study

Zhigang Suo, John Gregoire, Efthimios Kaxiras, 2022 .

I Applying the Lattice Boltzmann Equation to Multiscale Fluid Problems M a T E R I a L S S C I E N C E

Sauro Succi, Efthimios Kaxiras, Olga Filippova, 2001 .

Morphological evolution of Si nanowires upon lithiation: a first-principles multiscale model.

Zhigang Suo, Efthimios Kaxiras, Ekin D Cubuk, 2013, Nano letters.

Manipulating polarized light with a planar slab of black phosphorus

Marios Mattheakis, Efthimios Kaxiras, Constantinos A. Valagiannopoulos, 2017, 1703.06383.

Atomic and Electronic Structure of Solids: Elements of thermodynamics

Efthimios Kaxiras, E. Kaxiras, 2003 .

Twistronics: Manipulating the electronic properties of two-dimensional layered structures through their twist angle

Mitchell Luskin, Efthimios Kaxiras, Daniel Massatt, 2016, 1611.00649.

Quantized biopolymer translocation through nanopores: departure from simple scaling.

Massimo Bernaschi, Sauro Succi, Efthimios Kaxiras, 2009, Physical review. E, Statistical, nonlinear, and soft matter physics.

Dirac fermions and flat bands in the ideal kagome metal FeSn

David Graf, Efthimios Kaxiras, Konstantine Kaznatcheev, 2019, Nature Materials.

Multiscale simulations in simple metals: A density-functional-based methodology

E Weinan, Efthimios Kaxiras, Gang Lu, 2004, cond-mat/0404414.

Ab initio tight-binding Hamiltonian for transition metal dichalcogenides

Georgios A. Tritsaris, Efthimios Kaxiras, Rodrick Kuate Defo, 2015, 1506.08860.

Spanning the continuum to quantum length scales in a dynamic simulation of brittle fracture

Noam Bernstein, Efthimios Kaxiras, Farid F. Abraham, 1998 .

Theoretical investigation of the C60/copper phthalocyanine organic photovoltaic heterojunction

Efthimios Kaxiras, E. Kaxiras, S. Meng, 2012, Nano Research.

Approaching the intrinsic band gap in suspended high-mobility graphene nanoribbons

Zhixian Zhou, Efthimios Kaxiras, Nicholas Kioussis, 2011 .

MoS2 Field-Effect Transistor with Sub-10 nm Channel Length.

Jing Kong, Ahmad Zubair, Efthimios Kaxiras, 2016, Nano letters.

Graphene/MoS2 hybrid technology for large-scale two-dimensional electronics.

Madan Dubey, Jing Kong, Efthimios Kaxiras, 2014, Nano letters.

Ab initio supercell calculations on nitrogen-vacancy center in diamond: Electronic structure and hyperfine tensors

Efthimios Kaxiras, Adam Gali, Maria Fyta, 2008, 0803.1267.

Kinetic energy density functionals for non-periodic systems

Efthimios Kaxiras, Nicholas Choly, 2002 .

Endothelial shear stress from large-scale blood flow simulations

Massimo Bernaschi, Sauro Succi, Efthimios Kaxiras, 2011, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

A density functional study of clean and hydrogen-covered α-MoO3(010): Electronic structure and surface relaxation

Efthimios Kaxiras, Cynthia M. Friend, Umesh V. Waghmare, 1998 .

From Electrons to Finite Elements: A Concurrent Multiscale Approach for Metals

Efthimios Kaxiras, Gang Lu, E. B. Tadmor, 2005, cond-mat/0506006.

Carbon nanotube interaction with DNA.

Efthimios Kaxiras, Gang Lu, Paul Maragakis, 2005, Nano letters.

An Overview of Multiscale Simulations of Materials

Efthimios Kaxiras, Gang Lu, E. Kaxiras, 2004 .

Surface plasmon engineering in graphene functionalized with organic molecules: a multiscale theoretical investigation.

Hossein Mosallaei, Efthimios Kaxiras, Wei Li Wang, 2014, Nano letters.

Parallel multiscale modeling of biopolymer dynamics with hydrodynamic correlations

Massimo Bernaschi, Sauro Succi, Efthimios Kaxiras, 2007, 0711.2665.

Real-time, local basis-set implementation of time-dependent density functional theory for excited state dynamics simulations.

Efthimios Kaxiras, E. Kaxiras, S. Meng, 2008, The Journal of chemical physics.

Stress effects on the initial lithiation of crystalline silicon nanowires: reactive molecular dynamics simulations using ReaxFF.

Efthimios Kaxiras, Ekin D Cubuk, Alireza Ostadhossein, 2015, Physical chemistry chemical physics : PCCP.

Electronic structure theory of weakly interacting bilayers

Efthimios Kaxiras, Shiang Fang, E. Kaxiras, 2016, 1604.05371.

Author Correction: Enhancement of interlayer exchange in an ultrathin two-dimensional magnet

Efthimios Kaxiras, Pablo Jarillo-Herrero, Paul C. Canfield, 2019, Nature Physics.

Theory of structural transformation in lithiated amorphous silicon.

Efthimios Kaxiras, Ekin D Cubuk, E. D. Cubuk, 2014, Nano letters.

Nonorthogonal tight-binding Hamiltonians for defects and interfaces in silicon

Noam Bernstein, Efthimios Kaxiras, E. Kaxiras, 1997 .

A Self-Consistent Charge Density-Functional Based Tight-Binding Scheme for Large Biomolecules

Efthimios Kaxiras, Sándor Suhai, Gotthard Seifert, 2000 .

Structural model of eumelanin.

Efthimios Kaxiras, George Zonios, E. Kaxiras, 2006, Physical review letters.

Adaptive-coordinate real-space electronic-structure calculations for atoms, molecules, and solids

Efthimios Kaxiras, E. Kaxiras, G. Zumbach, 1997 .

Lattice Boltzmann Methods for Multiscale Fluid Problems

Sauro Succi, E Weinan, Efthimios Kaxiras, 2005 .

Negative differential resistance in transport through organic molecules on silicon.

Efthimios Kaxiras, S. Louie, E. Kaxiras, 2007, Physical review letters.

Embrittlement of metal by solute segregation-induced amorphization.

Priya Vashishta, Aiichiro Nakano, Efthimios Kaxiras, 2010, Physical review letters.

Unconventional superconductivity in magic-angle graphene superlattices

Takashi Taniguchi, Kenji Watanabe, Efthimios Kaxiras, 2018, Nature.

Emergence and dynamical properties of stochastic branching in the electronic flows of disordered Dirac solids

Marios Mattheakis, Efthimios Kaxiras, G. P. Tsironis, 2018, EPL (Europhysics Letters).

Mechanisms for ultrafast nonradiative relaxation in electronically excited eumelanin constituents.

Efthimios Kaxiras, E. Kaxiras, S. Meng, 2008, Biophysical journal.

Universal behavior of a dispersive Dirac cone in gradient-index plasmonic metamaterials

Marios Mattheakis, Mitchell Luskin, Efthimios Kaxiras, 2018 .

A QM/MM Implementation of the Self-Consistent Charge Density Functional Tight Binding (SCC-DFTB) Method

Efthimios Kaxiras, Martin Karplus, Marcus Elstner, 2001 .

Adaptive nudged elastic band approach for transition state calculation

Efthimios Kaxiras, David R. Reichman, Paul Maragakis, 2002 .

Mixed finite element and atomistic formulation for complex crystals

Noam Bernstein, Efthimios Kaxiras, Ellad B. Tadmor, 1999 .

Ab initio determination of coarse-grained interactions in double-stranded DNA.

Efthimios Kaxiras, Simone Melchionna, Chia Wei Hsu, 2012, The Journal of chemical physics.

Control algorithm for multiscale flow simulations of water.

Petros Koumoutsakos, Efthimios Kaxiras, P. Koumoutsakos, 2009, Physical review. E, Statistical, nonlinear, and soft matter physics.

Melanin absorption spectroscopy: new method for noninvasive skin investigation and melanoma detection.

Efthimios Kaxiras, Dimitrios Galaris, George Zonios, 2008, Journal of biomedical optics.

Atomic and Electronic Structure of Solids: Lattice vibrations

Efthimios Kaxiras, 2003 .

Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment

Thomas Frauenheim, Pavel Hobza, Efthimios Kaxiras, 2001 .

New Insights into the Structure of the Vapor/Water Interface from Large-Scale First-Principles Simulations.

Efthimios Kaxiras, Yousung Jung, E. Kaxiras, 2011, The journal of physical chemistry letters.

Mapping reactive flow patterns in monolithic nanoporous catalysts

Sauro Succi, Giacomo Falcucci, Pietro Prestininzi, 2016, 1607.02874.

Properties of nitrogen-vacancy centers in diamond: the group theoretic approach

Efthimios Kaxiras, Yiwen Chu, Adam Gali, 2010, 1010.1338.

Hydrogen-Enhanced Local Plasticity in Aluminum

Efthimios Kaxiras, Nicholas Kioussis, Gang Lu, 2001 .

Multiscale simulations of silicon nanoindentation

Noam Bernstein, Efthimios Kaxiras, Ellad B. Tadmor, 2001 .

First principles study of point defects in SnS.

Efthimios Kaxiras, Adam Gali, E. Kaxiras, 2014, Physical chemistry chemical physics : PCCP.

Quantum plasmons with optical-range frequencies in doped few-layer graphene

Marios Mattheakis, Efthimios Kaxiras, Marin Soljavci'c, 2017, 1703.01558.

Quantized current blockade and hydrodynamic correlations in biopolymer translocation through nanopores: evidence from multiscale simulations.

Massimo Bernaschi, Sauro Succi, Efthimios Kaxiras, 2008, Nano letters.

The first 100 days: Modeling the evolution of the COVID-19 pandemic

Efthimios Kaxiras, Georgios Neofotistos, E. Kaxiras, 2020, Chaos, Solitons & Fractals.

EXPLORING DNA TRANSLOCATION THROUGH A NANOPORE VIA A MULTISCALE LATTICE-BOLTZMANN MOLECULAR-DYNAMICS METHODOLOGY

Sauro Succi, Efthimios Kaxiras, Simone Melchionna, 2007 .

Epsilon-near-zero behavior from plasmonic Dirac point: Theory and realization using two-dimensional materials

Marios Mattheakis, Efthimios Kaxiras, Constantinos A. Valagiannopoulos, 2016 .

Theoretical models of eumelanin protomolecules and their optical properties.

Efthimios Kaxiras, E. Kaxiras, S. Meng, 2008, Biophysical journal.

The effect of Ag, Pb and Bi impurities on grain boundary sliding and intergranular decohesion in Copper

Efthimios Kaxiras, Thomas D. Kühne, Zhengxiao Guo, 2016 .

Unifying framework for strong and fragile liquids via machine learning: a study of liquid silica

Samuel S. Schoenholz, Ekin D. Cubuk, Efthimios Kaxiras, 2020 .