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1

Power-Efficient Computer Architectures: Recent Advances

Själander, Magnus, Martonosi, Margaret, Kaxiras, Stefanos

Journal:

Synthesis Lectures on Computer Architecture

Year:

2014

Language:

english

File:

PDF, 1.10 MB

english, 2014

2

Computer Architecture Techniques for Power-Efficiency

Kaxiras, Stefanos, Martonosi, Margaret

Journal:

Synthesis Lectures on Computer Architecture

Year:

2008

Language:

english

File:

PDF, 5.24 MB

english, 2008

3

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

Massimo Bernaschi, Massimiliano Fatica, Simone Melchionna, Sauro Succi, Efthimios Kaxiras

Journal:

Concurrency and Computation: Practice and Experience

Year:

2010

Language:

english

File:

PDF, 307 KB

english, 2010

4

Identifying Structural Flow Defects in Disordered Solids Using Machine-Learning Methods

Cubuk, E. D., Schoenholz, S. S., Rieser, J. M., Malone, B. D., Rottler, J., Durian, D. J., Kaxiras, E., Liu, A. J.

Journal:

Physical Review Letters

Year:

2015

Language:

english

File:

PDF, 1.13 MB

english, 2015

5

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

Carr, Stephen, Massatt, Daniel, Fang, Shiang, Cazeaux, Paul, Luskin, Mitchell, Kaxiras, Efthimios

Journal:

Physical Review B

Year:

2017

Language:

english

File:

PDF, 2.62 MB

english, 2017

6

[Springer Proceedings in Mathematics & Statistics] Coupled Mathematical Models for Physical and Biological Nanoscale Systems and Their Applications Volume 232 ||

Bonilla, Luis L., Kaxiras, Efthimios, Melnik, Roderick

Year:

2018

Language:

english

File:

PDF, 10.97 MB

english, 2018

7

Non-speculative load reordering in total store ordering

Kaxiras, Stefanos, Carlson, Trevor E., Alipour, Mehdi, Ros, Alberto

Journal:

Year:

2018

Language:

english

File:

PDF, 462 KB

english, 2018

8

The Role of Surface and Subsurface Point Defects for Chemical Model Studies on TiO2: A First-Principles Theoretical Study of Formaldehyde Bonding on Rutile TiO2(110)

Dr. Jan Haubrich, Prof. Efthimios Kaxiras, Prof. Cynthia M. Friend

Journal:

Chemistry - A European Journal

Year:

2011

Language:

english

File:

PDF, 562 KB

english, 2011

9

Concurrent coupling of length scales: Methodology and application

Broughton, Jeremy Q., Abraham, Farid F., Bernstein, Noam, Kaxiras, Efthimios

Journal:

Physical Review B

Year:

1999

Language:

english

File:

PDF, 385 KB

english, 1999

10

Electronic states of group-IV endohedral atoms in

Jackson, Koblar, Kaxiras, Efthimios, Pederson, Mark R.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 292 KB

english, 1993

11

Ab initio tight-binding Hamiltonian for transition metal dichalcogenides

Fang, Shiang, Kuate Defo, Rodrick, Shirodkar, Sharmila N., Lieu, Simon, Tritsaris, Georgios A., Kaxiras, Efthimios

Journal:

Physical Review B

Year:

2015

Language:

english

File:

PDF, 2.19 MB

english, 2015

12

Properties of in-plane graphene/MoS 2 heterojunctions

Chen, Wei, Yang, Yuan, Zhang, Zhenyu, Kaxiras, Efthimios

Journal:

Year:

2017

Language:

english

File:

PDF, 129.24 MB

english, 2017

13

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

Marcus Elstner, Qiang Cui, Petra Munih, Efthimios Kaxiras, Thomas Frauenheim, Martin Karplus

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 777 KB

english, 2003

14

SARC Coherence: Scaling Directory Cache Coherence in Performance and Power

Kaxiras, S., Keramidas, G.

Journal:

Year:

2010

Language:

english

File:

PDF, 686 KB

english, 2010

15

Surfactants in epitaxial growth

Copel, M., Reuter, M. C., Kaxiras, Efthimios, Tromp, R. M.

Journal:

Physical Review Letters

Year:

1989

Language:

english

File:

PDF, 166 KB

english, 1989

16

Contribution of concerted exchange to the entropy of self-diffusion in Si

Kaxiras, Efthimios, Pandey, K. C.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 234 KB

english, 1993

17

Electric-Field Dependence of the Effective Dielectric Constant in Graphene

Santos, Elton J. G., Kaxiras, Efthimios

Journal:

Year:

2013

Language:

english

File:

PDF, 326 KB

english, 2013

18

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

Gali, Adam, Fyta, Maria, Kaxiras, Efthimios

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 1.41 MB

english, 2008

19

Theoretical Study of O-Assisted Selective Coupling of Methanol on Au(111)

Xu, Bingjun, Haubrich, Jan, Baker, Thomas A., Kaxiras, Efthimios, Friend, Cynthia M.

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 34 KB

english, 2011

20

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

Maze, J R, Gali, A, Togan, E, Chu, Y, Trifonov, A, Kaxiras, E, Lukin, M D

Journal:

New Journal of Physics

Year:

2011

Language:

english

File:

PDF, 934 KB

english, 2011

21

Optoelectronic properties of single-layer, double-layer, and bulk tin sulfide: A theoretical study

Tritsaris, Georgios A., Malone, Brad D., Kaxiras, Efthimios

Journal:

Journal of Applied Physics

Year:

2013

Language:

english

File:

PDF, 1.95 MB

english, 2013

22

Ideal crystal stability and pressure-induced phase transition in silicon

Mizushima, Kazuki, Yip, Sidney, Kaxiras, Efthimios

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 436 KB

english, 1994

23

Ab initio theory of polar semiconductor surfaces. II. ( 22 ) reconstructions and related phase transitions of GaAs( 1¯1¯1¯ )

Kaxiras, E., Bar-Yam, Y., Joannopoulos, J. D., Pandey, K. C.

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 479 KB

english, 1987

24

Ab initio theory of polar semiconductor surfaces. I. Methodology and the ( 22 ) reconstructions of GaAs(111)

Kaxiras, E., Bar-Yam, Y., Joannopoulos, J. D., Pandey, K. C.

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 605 KB

english, 1987

25

hyperdiamond

Kaxiras, Efthimios, Zeger, Linda M., Antonelli, A., Juan, Yu-min

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 794 KB

english, 1994

26

Interatomic potential for silicon defects and disordered phases

Justo, João F., Bazant, Martin Z., Kaxiras, Efthimios, Bulatov, V. V., Yip, Sidney

Journal:

Physical Review B

Year:

1998

Language:

english

File:

PDF, 225 KB

english, 1998

27

Resolving discrepancies between LEED and STM through ab initio calculations: Surface and bonding of sulfur on Mo(110)

Chen, M., Clark, P. G., Mueller, T., Friend, C. M., Kaxiras, Efthimios

Journal:

Physical Review B

Year:

1999

Language:

english

File:

PDF, 511 KB

english, 1999

28

Structural stability and electronic properties of low-index surfaces of SnS

Tritsaris, Georgios A., Malone, Brad D., Kaxiras, Efthimios

Journal:

Journal of Applied Physics

Year:

2014

Language:

english

File:

PDF, 1.14 MB

english, 2014

29

Energetics of defects and diffusion mechanisms in graphite

Kaxiras, Efthimios, Pandey, K. C.

Journal:

Physical Review Letters

Year:

1988

Language:

english

File:

PDF, 195 KB

english, 1988

30

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

Kühne, Thomas D., Pascal, Tod A., Kaxiras, Efthimios, Jung, Yousung

Journal:

The Journal of Physical Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 3.51 MB

english, 2011

31

Direct Observation of a Long-Lived Single-Atom Catalyst Chiseling Atomic Structures in Graphene

Wang, Wei Li, Santos, Elton J. G., Jiang, Bin, Cubuk, Ekin Dogus, Ophus, Colin, Centeno, Alba, Pesquera, Amaia, Zurutuza, Amaia, Ciston, Jim, Westervelt, Robert, Kaxiras, Efthimios

Journal:

Year:

2014

Language:

english

File:

PDF, 1.73 MB

english, 2014

32

Orbital-Free Density Functional Theory Applied to NaAlH 4

Frankcombe, Terry J., Kroes, Geert-Jan, Choly, Nicholas I., Kaxiras, Efthimios

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 311 KB

english, 2005

33

Density-functional theory modeling of bulk magnetism with spin-dependent pseudopotentials

Starrost, Frank, Kim, Hanchul, Watson, Stuart C., Kaxiras, Efthimios, Carter, Emily A.

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 148 KB

english, 2001

34

Adsorption of boron on Si(111): Its effect on surface electronic states and reconstruction

Lyo, I.-W., Kaxiras, Efthimios, Avouris, Ph.

Journal:

Physical Review Letters

Year:

1989

Language:

english

File:

PDF, 1.34 MB

english, 1989

35

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

Fyta, Maria, Melchionna, Simone, Succi, Sauro, Kaxiras, Efthimios

Journal:

Physical Review E

Year:

2008

Language:

english

File:

PDF, 180 KB

english, 2008

36

Quantized biopolymer translocation through nanopores: Departure from simple scaling

Melchionna, Simone, Bernaschi, Massimo, Fyta, Maria, Kaxiras, Efthimios, Succi, Sauro

Journal:

Physical Review E

Year:

2009

Language:

english

File:

PDF, 293 KB

english, 2009

37

(2×2) reconstructions of the {111} polar surfaces of GaAs

Kaxiras, E., Bar-Yam, Y., Joannopoulos, J. D., Pandey, K. C.

Journal:

Physical Review B

Year:

1986

Language:

english

File:

PDF, 405 KB

english, 1986

38

Reply to ‘‘Comment on ‘Ground state of the strong-coupling Hubbard Hamiltonian: A numerical diagonalization study’ ’’

Kaxiras, Efthimios, Manousakis, Efstratios

Journal:

Physical Review B

Year:

1989

Language:

english

File:

PDF, 84 KB

english, 1989

39

Ground state of the strong-coupling Hubbard Hamiltonian: A numerical diagonalization study

Kaxiras, Efthimios, Manousakis, Efstratios

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 597 KB

english, 1988

40

C and (

Zeger, Linda M., Juan, Yu-Min, Kaxiras, Efthimios, Antonelli, A.

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 745 KB

english, 1995

41

Orientational order in dense molecular hydrogen: A first-principles path-integral Monte Carlo calculation

Kaxiras, Efthimios, Guo, Zhian

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 962 KB

english, 1994

42

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

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

Journal:

Physical Review B

Year:

1997

Language:

english

File:

PDF, 312 KB

english, 1997

43

Hydrogenation of semiconductor surfaces: Si and Ge (111)

Kaxiras, E., Joannopoulos, J. D.

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 705 KB

english, 1988

44

Hole dynamics in the two-dimensional strong-coupling Hubbard Hamiltonian

Kaxiras, Efthimios, Manousakis, Efstratios

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 185 KB

english, 1988

45

Variational Hilbert-space-truncation approach to quantum Heisenberg antiferromagnets on frustrated clusters

Modine, N. A., Kaxiras, Efthimios

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 198 KB

english, 1996

46

Free energy of the concerted-exchange mechanism for self-diffusion in silicon

Antonelli, A., Ismail-Beigi, S., Kaxiras, Efthimios, Pandey, K. C.

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 100 KB

english, 1996

47

New classical potential for accurate simulation of atomic processes in Si

Kaxiras, Efthimios, Pandey, K. C.

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 166 KB

english, 1988

48

Use of the generalized gradient approximation in pseudopotential calculations of solids

Juan, Yu-Min, Kaxiras, Efthimios, Gordon, Roy G.

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 263 KB

english, 1995

49

Energetics of large lattice strains: Application to silicon

Kaxiras, Efthimios, Boyer, L. L.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 333 KB

english, 1994

50

[IEEE Distributed Processing Symposium (IPDPS) - Miami, FL, USA (2008.04.14-2008.04.18)] 2008 IEEE International Symposium on Parallel and Distributed Processing - MUPHY: A parallel high performance MUlti PHYsics/Scale code

Bernaschi, Massimo, Succi, Sauro, Fyta, Maria, Kaxiras, Efthimios, Melchionna, Simone, Sircar, Jayanta K.

Year:

2008

Language:

english

File:

PDF, 513 KB

english, 2008