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1

[WORLD SCIENTIFIC Proceedings of the International School of Physics - LERICI, Villa Marigola (7 – 18 July 1997)] Classical and Quantum Dynamics in Condensed Phase Simulations - Nudged elastic band method for finding minimum energy paths of transitions

JÓNSSON, HANNES, MILLS, GREG, JACOBSEN, KARSTEN W.

Language:

english

File:

PDF, 1.81 MB

english

2

A Computational Exercise Illustrating Molecular Vibrations and Normal Modes

SUSAN B. REMPE, HANNES JÓNSSON

Journal:

The Chemical Educator

Year:

1998

Language:

english

File:

PDF, 188 KB

english, 1998

3

Somatic symptoms in adolescence as a predictor of severe mental illness in adulthood: a long-term community-based follow-up study

Bohman, Hannes, Låftman, Sara B., Cleland, Neil, Lundberg, Mathias, Päären, Aivar, Jonsson, Ulf

Journal:

Child and Adolescent Psychiatry and Mental Health

Year:

2018

Language:

english

File:

PDF, 978 KB

english, 2018

4

Somatic symptoms as a marker for severity in adolescent depression

Hannes Bohman, Ulf Jonsson, Anne-Liis Von Knorring, Lars Von Knorring, Aivar Päären, Gunilla Olsson

Journal:

Acta Paediatrica

Year:

2010

Language:

english

File:

PDF, 338 KB

english, 2010

5

A fast and robust algorithm for Bader decomposition of charge density

Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson

Journal:

Computational Materials Science

Year:

2006

Language:

english

File:

PDF, 208 KB

english, 2006

6

dissociative adsorption: Evaluation of free energy barriers in multidimensional quantum systems

Mills, Greg, Jónsson, Hannes

Journal:

Physical Review Letters

Year:

1994

Language:

english

File:

PDF, 425 KB

english, 1994

7

Effect of Magnetic States on the Reactivity of an FCC(111) Iron Surface

Melander, Marko, Laasonen, Kari, Jónsson, Hannes

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 7.15 MB

english, 2014

8

Improved initial guess for minimum energy path calculations

Smidstrup, Søren, Pedersen, Andreas, Stokbro, Kurt, Jónsson, Hannes

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 965 KB

english, 2014

9

Energy security matters in the EU Energy Roadmap

Jonsson, Daniel K., Johansson, Bengt, Månsson, André, Nilsson, Lars J., Nilsson, Måns, Sonnsjö, Hannes

Journal:

Energy Strategy Reviews

Year:

2015

Language:

english

File:

PDF, 321 KB

english, 2015

10

Complex orbitals, multiple local minima and symmetry breaking in Perdew-Zunger self-interaction corrected density-functional theory calculations

Lehtola, Susi, Head-Gordon, Martin, Jonsson, Hannes

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 343 KB

english, 2016

11

Parental influence on human germline de novo mutations in 1,548 trios from Iceland

Jónsson, Hákon, Sulem, Patrick, Kehr, Birte, Kristmundsdottir, Snaedis, Zink, Florian, Hjartarson, Eirikur, Hardarson, Marteinn T., Hjorleifsson, Kristjan E., Eggertsson, Hannes P., Gudjonsson, Sigurj

Journal:

Year:

2017

Language:

english

File:

PDF, 3.22 MB

english, 2017

12

Parallel implementation of γ-point pseudopotential plane-wave DFT with exact exchange

Eric J. Bylaska, Kiril Tsemekhman, Scott B. Baden, John H. Weare, Hannes Jonsson

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 1.11 MB

english, 2011

13

Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory

Valdés, Álvaro, Brillet, Jeremie, Grätzel, Michael, Gudmundsdóttir, Hildur, Hansen, Heine A., Jónsson, Hannes, Klüpfel, Peter, Kroes, Geert-Jan, Le Formal, Florian, Man, Isabela C.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 4.82 MB

english, 2011

14

An embedded atom method potential for the h.c.p. metal Zr

Goldstein, Alexandra, Jónsson, Hannes

Journal:

Philosophical Magazine B

Year:

1995

Language:

english

File:

PDF, 1009 KB

english, 1995

15

Diffusion and Island formation on the ice Ih basal plane surface

Enrique R. Batista, Hannes Jónsson

Journal:

Computational Materials Science

Year:

2001

Language:

english

File:

PDF, 1.50 MB

english, 2001

16

Geothermal model calibration using a global minimization algorithm based on finding saddle points and minima of the objective function

Plasencia, Manuel, Pedersen, Andreas, Arnaldsson, Andri, Berthet, Jean-Claude, Jónsson, Hannes

Journal:

Computers & Geosciences

Year:

2014

Language:

english

File:

PDF, 4.24 MB

english, 2014

17

Structure and molecular properties of adsorbates at low coverage: Light-atom scattering from adsorbed Xe and CO

Jónsson, Hannes, Weare, John H., Levi, Andrea C.

Journal:

Physical Review B

Year:

1984

Language:

english

File:

PDF, 449 KB

english, 1984

18

Magic-Number Gold Nanoclusters with Diameters from 1 to 3.5 nm: Relative Stability and Catalytic Activity for CO Oxidation

Li, Hui, Li, Lei, Pedersen, Andreas, Gao, Yi, Khetrapal, Navneet, Jónsson, Hannes, Zeng, Xiao Cheng

Journal:

Year:

2015

Language:

english

File:

PDF, 383 KB

english, 2015

19

Low-temperature homoepitaxial growth of Pt(111) in simulated vapor deposition

Villarba, Marie, Jónsson, Hannes

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 539 KB

english, 1994

20

Long-Time-Scale Simulations of H 2 O Admolecule Diffusion on Ice Ih(0001) Surfaces

Pedersen, Andreas, Karssemeijer, Leendertjan, Cuppen, Herma M., Jónsson, Hannes

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 3.09 MB

english, 2015

21

Corrigendum to “Diffusion and Island formation on the ice Ih basal plane surface” [Comput. Mater. Sci. 20 (2001) 325–336]

Batista, Enrique R., Jónsson, Hannes

Journal:

Computational Materials Science

Year:

2015

Language:

english

File:

PDF, 216 KB

english, 2015

22

Long-term follow-up of adolescent depression. A population-based study

Bohman, Hannes, Jonsson, Ulf, Päären, Aivar, Knorring, Anne-Liis Von, Olsson, Gunilla, Knorring, Lars Von

Journal:

Upsala Journal of Medical Sciences

Year:

2010

Language:

english

File:

PDF, 103 KB

english, 2010

23

Finding mechanism of transitions in complex systems: formation and migration of dislocation kinks in a silicon crystal

Pedersen, Andreas, Pizzagalli, Laurent, Jónsson, Hannes

Journal:

Journal of Physics Condensed Matter

Year:

2009

Language:

english

File:

PDF, 1.15 MB

english, 2009

24

DENTAL LESIONS IN THE LOWLAND TAPIR ( TAPIRUS TERRESTRIS )

Tjørnelund, Karen B., Jonsson, Lena M., Kortegaard, Hanne, Arnbjerg, Jens, Nielsen, Søren S., Bertelsen, Mads F.

Journal:

Journal of Zoo and Wildlife Medicine

Year:

2015

Language:

english

File:

PDF, 77 KB

english, 2015

25

[WORLD SCIENTIFIC Proceedings of the International School of Physics - LERICI, Villa Marigola (7 – 18 July 1997)] Classical and Quantum Dynamics in Condensed Phase Simulations - RAW quantum transition state theory

MILLS, GREG, SCHENTER, GREG K., MAKAROV, DMITRII E., JÓNSSON, HANNES

Language:

english

File:

PDF, 1.37 MB

english

26

Effect of Complex-Valued Optimal Orbitals on Atomization Energies with the Perdew–Zunger Self-Interaction Correction to Density Functional Theory

Lehtola, Susi, Jónsson, Elvar Ö., Jónsson, Hannes

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 900 KB

english, 2016

27

Determination of the structure and properties of an edge dislocation in rutile TiO2

Maras, Emile, Saito, Mitsuhiro, Inoue, Kazutoshi, Jónsson, Hannes, Ikuhara, Yuichi, McKenna, Keith P.

Journal:

Acta Materialia

Year:

2018

Language:

english

File:

PDF, 7.46 MB

english, 2018

28

Multiple transmissions of de novo mutations in families

Jónsson, Hákon, Sulem, Patrick, Arnadottir, Gudny A., Pálsson, Gunnar, Eggertsson, Hannes P., Kristmundsdottir, Snaedis, Zink, Florian, Kehr, Birte, Hjorleifsson, Kristjan E., Jensson, Brynjar Ö., Jon

Journal:

Nature Genetics

Year:

2018

Language:

english

File:

PDF, 1.12 MB

english, 2018

29

Density Functional Theory Calculations and Thermodynamic Analysis of the Forsterite Mg 2 SiO 4 (010) Surface

Geng, Ming, Jonsson, Hannes

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 31.50 MB

english, 2018

30

Parent–youth conflict as a predictor of depression in adulthood: a 15-year follow-up of a community-based cohort

Alaie, Iman, Låftman, Sara Brolin, Jonsson, Ulf, Bohman, Hannes

Journal:

European Child & Adolescent Psychiatry

Year:

2019

Language:

english

File:

PDF, 717 KB

english, 2019

31

Elucidation of temperature-programmed desorption of high-coverage hydrogen on Pt(211), Pt(221), Pt(533) and Pt(553) based on density functional theory calculations

Kolb, Manuel J, Garden, Anna L., Badan, Cansin, Torres, Jose Antonio Garrido, Skúlason, Egill, Juurlink, Ludo BF, Jonsson, Hannes, Koper, Marc T.M.

Journal:

Physical Chemistry Chemical Physics

Year:

2019

Language:

english

File:

PDF, 45.14 MB

english, 2019

32

Influence of ring faulting in localizing surface deformation at subsiding calderas

Liu, Yuan-Kai, Ruch, Joël, Vasyura-Bathke, Hannes, Jónsson, Sigurjón

Journal:

Earth and Planetary Science Letters

Year:

2019

Language:

english

File:

PDF, 3.19 MB

english, 2019

33

GraphTyper2 enables population-scale genotyping of structural variation using pangenome graphs

Eggertsson, Hannes P., Kristmundsdottir, Snaedis, Beyter, Doruk, Jonsson, Hakon, Skuladottir, Astros, Hardarson, Marteinn T., Gudbjartsson, Daniel F., Stefansson, Kari, Halldorsson, Bjarni V., Melsted

Journal:

Nature Communications

Year:

2019

File:

PDF, 705 KB

2019

34

Combined Experimental and Theoretical Study on the Nature and the Metastable Decay Pathways of the Amino Acid Ion Fragment [M−H]−

Helga Dögg Flosadóttir, Stephan Denifl, Fabio Zappa, Nina Wendt, Andreas Mauracher, Arntraud Bacher, Hannes Jónsson, Tilmann D. Märk, Paul Scheier, Oddur Ingólfsson

Journal:

Angewandte Chemie

Year:

2007

Language:

english

File:

PDF, 309 KB

english, 2007

35

Combined Experimental and Theoretical Study on the Nature and the Metastable Decay Pathways of the Amino Acid Ion Fragment [M−H]−

Helga Dögg Flosadóttir, Stephan Denifl, Fabio Zappa, Nina Wendt, Andreas Mauracher, Arntraud Bacher, Hannes Jónsson, Tilmann D. Märk, Paul Scheier, Oddur Ingólfsson

Journal:

Angewandte Chemie International Edition

Year:

2007

Language:

english

File:

PDF, 309 KB

english, 2007

36

A parallel implementation of the Car-Parrinello method by orbital decomposition

James Wiggs, Hannes Jónsson

Journal:

Computer Physics Communications

Year:

1994

Language:

english

File:

PDF, 1.22 MB

english, 1994

37

Light atom scattering from adsorbates at low coverage

Hannes Jónsson, John H. Weare, Andrea C. Levi

Journal:

Surface Science Letters

Year:

1984

Language:

english

File:

PDF, 58 KB

english, 1984

38

Hydrogen atom scattering from physisorbed overlayers: II. A different kind of resonance crossing

Hannes Jónsson, John H. Weare, T.H. Ellis, G. Scoles

Journal:

Surface Science Letters

Year:

1987

Language:

english

File:

PDF, 58 KB

english, 1987

39

Low energy He atom scattering from Ag(110) and Ag(111): Is there an effective two-body potential?

Hannes Jónsson, JohnH. Weare

Journal:

Surface Science Letters

Year:

1987

Language:

english

File:

PDF, 47 KB

english, 1987

40

Simulations of hydrogen diffusion at grain boundaries in aluminum

Andreas Pedersen, Hannes Jónsson

Journal:

Acta Materialia

Year:

2009

Language:

english

File:

PDF, 2.33 MB

english, 2009

41

Optimization of hyperplanar transition states: Application to 2D test problems

Thomas Bligaard, Hannes Jónsson

Journal:

Computer Physics Communications

Year:

2005

Language:

english

File:

PDF, 135 KB

english, 2005

42

Distributed implementation of the adaptive kinetic Monte Carlo method

Andreas Pedersen, Hannes Jónsson

Journal:

Mathematics and Computers in Simulation

Year:

2010

Language:

english

File:

PDF, 862 KB

english, 2010

43

Adsorption of water monomer and clusters on platinum(111) terrace and related steps and kinks: I. Configurations, energies, and hydrogen bonding

Líney Árnadóttir, Eric M. Stuve, Hannes Jónsson

Journal:

Surface Science

Year:

2010

Language:

english

File:

PDF, 965 KB

english, 2010

44

Parallel short-range molecular dynamics using the Ādhāra runtime system

S.G. Srinivasan, I. Ashok, Hannes Jônsson, Gretchen Kalonji, John Zahorjan

Journal:

Computer Physics Communications

Year:

1997

Language:

english

File:

PDF, 1011 KB

english, 1997

45

Dynamic-domain-decomposition parallel molecular dynamics

S.G. Srinivasan, I. Ashok, Hannes Jônsson, Gretchen Kalonji, John Zahorjan

Journal:

Computer Physics Communications

Year:

1997

Language:

english

File:

PDF, 1003 KB

english, 1997

46

Drug prescriptions of adults with adolescent depression in a community sample

Aivar Päären, Lars von Knorring, Ulf Jonsson, Hannes Bohman, Gunilla Olsson, Anne-Liis von Knorring

Journal:

Pharmacoepidemiology and Drug Safety

Year:

2012

Language:

english

File:

PDF, 180 KB

english, 2012

47

A hybrid decomposition parallel implementation of the Car-Parrinello method

James Wiggs, Hannes Jónsson

Journal:

Computer Physics Communications

Year:

1995

Language:

english

File:

PDF, 1.41 MB

english, 1995

48

Pd diffusion on MgO(1 0 0): The role of defects and small cluster mobility

Lijun Xu, Graeme Henkelman, Charles T. Campbell, Hannes Jónsson

Journal:

Surface Science

Year:

2006

Language:

english

File:

PDF, 892 KB

english, 2006

49

Kinetic Monte Carlo simulations of Pd deposition and island growth on MgO(1 0 0)

Lijun Xu, Charles T. Campbell, Hannes Jónsson, Graeme Henkelman

Journal:

Surface Science

Year:

2007

Language:

english

File:

PDF, 534 KB

english, 2007

50

Factors associated with response to lamivudine: Retrospective study in a tertiary care clinic serving patients with chronic hepatitis B

HIE-WON L HANN, MICHELE L JONSSON FUNK, DANIEL M ROSENBERG, RANDY DAVIS

Journal:

Journal of Gastroenterology and Hepatology

Year:

2005

Language:

english

File:

PDF, 107 KB

english, 2005

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