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1

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

Enkovaara, J, Rostgaard, C, Mortensen, J J, Chen, J, Dułak, M, Ferrighi, L, Gavnholt, J, Glinsvad, C, Haikola, V, Hansen, H A, Kristoffersen, H H, Kuisma, M, Larsen, A H, Lehtovaara, L, Ljungberg, M,

Journal:

Journal of Physics Condensed Matter

Year:

2010

Language:

english

File:

PDF, 1.40 MB

english, 2010

2

GPAW - massively parallel electronic structure calculations with Python-based software

Jussi Enkovaara, Nichols A. Romero, Sameer Shende, Jens J. Mortensen

Journal:

Procedia Computer Science

Year:

2011

Language:

english

File:

PDF, 1.38 MB

english, 2011

3

Kohn-Sham potential with discontinuity for band gap materials

Kuisma, M., Ojanen, J., Enkovaara, J., Rantala, T. T.

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 181 KB

english, 2010

4

High Performance Parallelism Pearls || High Performance Python Offloading

Enkovaara, Jussi

Year:

2015

Language:

english

File:

PDF, 2.09 MB

english, 2015

5

Magnetically driven shape memory alloys

J. Enkovaara, A. Ayuela, A.T. Zayak, P. Entel, L. Nordström, M. Dube, J. Jalkanen, J. Impola, R.M. Nieminen

Journal:

Materials Science and Engineering: A

Year:

2004

Language:

english

File:

PDF, 197 KB

english, 2004

6

Three real-space discretization techniques in electronic structure calculations

T. Torsti, T. Eirola, J. Enkovaara, T. Hakala, P. Havu, V. Havu, T. Höynälänmaa, J. Ignatius, M. Lyly, I. Makkonen, T. T. Rantala, J. Ruokolainen, K. Ruotsalainen, E. Räsänen, H. Saarikoski, M. J. Pus

Journal:

physica status solidi (b)

Year:

2006

Language:

english

File:

PDF, 1.84 MB

english, 2006

7

Possible hepatotoxic effect of rooibos tea: a case report

Marjatta Sinisalo, Anna-Liisa Enkovaara, Kari T. Kivistö

Journal:

European Journal of Clinical Pharmacology

Year:

2010

Language:

english

File:

PDF, 62 KB

english, 2010

8

NEW POTENT ANTIHYPERTENSIVE AGENTS, OR H3088 AND OR N0676

Heikki Karppanen, Ilari Paakkari, Pirkko Paakkari, Anna-Liisa Enkovaara, Margareta Svartström-Fraser, Erkki Honkanen

Journal:

Journal of Internal Medicine

Year:

1984

Language:

english

File:

PDF, 232 KB

english, 1984

9

First-principles calculations of spin spirals in Ni2MnGa and Ni2MnAl

Enkovaara, J., Ayuela, A., Jalkanen, J., Nordström, L., Nieminen, R.

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 223 KB

english, 2003

10

Time-dependent density-functional theory in the projector augmented-wave method

Walter, Michael, Häkkinen, Hannu, Lehtovaara, Lauri, Puska, Martti, Enkovaara, Jussi, Rostgaard, Carsten, Mortensen, Jens Jo̸rgen

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.01 MB

english, 2008

11

Birth of the Localized Surface Plasmon Resonance in Monolayer-Protected Gold Nanoclusters

Malola, Sami, Lehtovaara, Lauri, Enkovaara, Jussi, Häkkinen, Hannu

Journal:

Year:

2013

Language:

english

File:

PDF, 2.00 MB

english, 2013

12

Atomistic approach for simulating plasmons in nanostructures

Sakko, Arto, Rossi, Tuomas P., Enkovaara, Jussi, Nieminen, Risto M.

Journal:

Applied Physics A: Materials Science & Processing

Year:

2014

Language:

english

File:

PDF, 410 KB

english, 2014

13

First-principles investigations of homogeneous lattice-distortive strain and shuffles in Ni 2 MnGa

Zayak, A T, Entel, P, Enkovaara, J, Ayuela, A, Nieminen, R M

Journal:

Journal of Physics Condensed Matter

Year:

2003

Language:

english

File:

PDF, 170 KB

english, 2003

14

Magnetic anisotropy in

Enkovaara, J., Ayuela, A., Nordström, L., Nieminen, R. M.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 145 KB

english, 2002

15

Structural, thermal, and magnetic properties of Ni[sub 2]MnGa

Enkovaara, J., Ayuela, A., Nordström, L., Nieminen, R. M.

Journal:

Journal of Applied Physics

Year:

2002

Language:

english

File:

PDF, 215 KB

english, 2002

16

Spin-polarized tunneling between an antiferromagnet and a ferromagnet: First-principles calculations and transport theory

Enkovaara, J., Wortmann, D., Blügel, S.

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 226 KB

english, 2007

17

Ab initio study of tetragonal variants in Ni2MnGa alloy

Ayuela, A, Enkovaara, J, Nieminen, R M

Journal:

Journal of Physics Condensed Matter

Year:

2002

Language:

english

File:

PDF, 231 KB

english, 2002

18

Toward Stronger Al–BN Nanotube Composite Materials: Insights into Bonding at the Al/BN Interface from First-Principles Calculations

Krasheninnikov, Arkady V., Berseneva, Natalia, Kvashnin, Dmitry G., Enkovaara, Jussi, Björkman, Torbjörn, Sorokin, Pavel, Shtansky, Dmitry, Nieminen, Risto M., Golberg, Dmitri

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 7.02 MB

english, 2014

19

Temperature dependence of magnetic anisotropy in Ni–Mn–Ga alloys exhibiting giant field-induced strain

Heczko, Oleg, Straka, Ladislav, Lanska, Natalyia, Ullakko, Kari, Enkovaara, Jussi

Journal:

Journal of Applied Physics

Year:

2002

Language:

english

File:

PDF, 272 KB

english, 2002

20

Coexistence of ferromagnetic and antiferromagnetic order in Mn-doped

Enkovaara, J., Heczko, O., Ayuela, A., Nieminen, R. M.

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 85 KB

english, 2003

21

First-principles investigation of phonon softenings and lattice instabilities in the shape-memory system

Zayak, A. T., Entel, P., Enkovaara, J., Ayuela, A., Nieminen, R. M.

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 199 KB

english, 2003

22

Interlayer coupling in Co/Si sandwich structures

Enkovaara, J., Ayuela, A., Nieminen, R. M.

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 247 KB

english, 2000

23

Design and performance characterization of electronic structure calculations on massively parallel supercomputers: a case study of GPAW on the Blue Gene/P architecture

Romero, N.A., Glinsvad, C., Larsen, A.H., Enkovaara, J., Shende, S., Morozov, V.A., Mortensen, J.J.

Journal:

Concurrency and Computation: Practice and Experience

Year:

2015

Language:

english

File:

PDF, 1.60 MB

english, 2015

24

Thermal Collapse of Spin Polarization in Half-Metallic Ferromagnets

Ležaić, M., Mavropoulos, Ph., Enkovaara, J., Bihlmayer, G., Blügel, S.

Journal:

Physical Review Letters

Year:

2006

Language:

english

File:

PDF, 224 KB

english, 2006

25

Localized surface plasmon resonance in silver nanoparticles: Atomistic first-principles time-dependent density-functional theory calculations

Kuisma, M., Sakko, A., Rossi, T. P., Larsen, A. H., Enkovaara, J., Lehtovaara, L., Rantala, T. T.

Journal:

Physical Review B

Year:

2015

Language:

english

File:

PDF, 1.53 MB

english, 2015

26

Structural properties of magnetic Heusler alloys

Ayuela, A, Enkovaara, J, Ullakko, K, Nieminen, R M

Journal:

Journal of Physics Condensed Matter

Year:

1999

Language:

english

File:

PDF, 311 KB

english, 1999

27

Finnish physicians' attitudes towards active euthanasia have become more positive over the last 10 years

Louhiala, P., Enkovaara, H., Halila, H., Palve, H., Vanska, J.

Journal:

Journal of Medical Ethics

Year:

2015

Language:

english

File:

PDF, 257 KB

english, 2015

28

Structural, thermal, and magnetic properties of Ni 2 MnGa from first-principles

Enkovaara, J., Ayuela, A., Nordström, L., Nieminen, R. M.

Journal:

Journal de Physique IV (Proceedings) /Le Journal de Physique IV

Year:

2003

Language:

english

File:

PDF, 38 KB

english, 2003

29

Twins in a ferromagnetic martensite of Ni 2 MnGa

Ayuela, A., Daubé, M., Enkovaara, J., Nieminen, R. M.

Journal:

Journal de Physique IV (Proceedings) /Le Journal de Physique IV

Year:

2003

Language:

english

File:

PDF, 43 KB

english, 2003