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1

GPU-Accelerated Semi-Empirical Born Oppenheimer Molecular Dynamics using PyTorch

Zhou, Guoqing, Nebgen, Ben, Lubbers, Nicholas, Malone, Walter Frances, Niklasson, Anders M. N., Tretiak, Sergei

Journal:

Journal of Chemical Theory and Computation

Year:

2020

File:

PDF, 5.02 MB

2020

2

The Gelfoam® plug: An alternative treatment for small eardrum perforations

Anders Niklasson, Krister Tano

Journal:

The Laryngoscope

Year:

2011

Language:

english

File:

PDF, 82 KB

english, 2011

3

Measurement of the velocity field and frictional properties of wet masses in a high shear mixer

Anders Darelius, Elin Lennartsson, Anders Rasmuson, Ingela Niklasson Björn, Staffan Folestad

Journal:

Chemical Engineering Science

Year:

2007

Language:

english

File:

PDF, 355 KB

english, 2007

4

Density Matrix Perturbation Theory

Niklasson, Anders M. N., Challacombe, Matt

Journal:

Physical Review Letters

Year:

2004

Language:

english

File:

PDF, 100 KB

english, 2004

5

A 700-year record of large fire years in northern Scandinavia shows large variability and increased frequency during the 1800 s

DROBYSHEV, IGOR, BERGERON, YVES, LINDERHOLM, HANS W., GRANSTRÖM, ANDERS, NIKLASSON, MATS

Journal:

Journal of Quaternary Science

Year:

2015

Language:

english

File:

PDF, 931 KB

english, 2015

6

Canonical density matrix perturbation theory

Niklasson, Anders M. N., Cawkwell, M. J., Rubensson, Emanuel H., Rudberg, Elias

Journal:

Physical Review E

Year:

2015

Language:

english

File:

PDF, 256 KB

english, 2015

7

Numerical modeling of adhesive particle mixing

Tamadondar, Mohammad R., Rasmuson, Anders, Thalberg, Kyrre, Niklasson Björn, Ingela

Journal:

Year:

2017

Language:

english

File:

PDF, 1.29 MB

english, 2017

8

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory

Vitale, Valerio, Dziedzic, Jacek, Albaugh, Alex, Niklasson, Anders M. N., Head-Gordon, Teresa, Skylaris, Chris-Kriton

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 3.84 MB

english, 2017

9

Linear scaling pseudo Fermi-operator expansion for fractional occupation

Mniszewski, Susan M., Perriot, Romain, Rubensson, Emanuel H., Negre, Christian F. A., Cawkwell, Marc J., Niklasson, Anders M.N.

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 1.10 MB

english, 2018

10

Extended Lagrangian BornâOppenheimer molecular dynamics using a Krylov subspace approximation

Niklasson, Anders M. N.

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 1.59 MB

2020

11

CFD modeling of the Wurster bed coater

Stina Karlsson, Anders Rasmuson, Berend van Wachem, Ingela Niklasson Björn

Journal:

Year:

2009

Language:

english

File:

PDF, 348 KB

english, 2009

12

Separable and Nonseparable Multiwavelets in Multiple Dimensions

C.J. Tymczak, Anders M.N. Niklasson, Heinrich Röder

Journal:

Journal of Computational Physics

Year:

2002

Language:

english

File:

PDF, 726 KB

english, 2002

13

Fluid dynamics simulation of the high shear mixing process

Anders Darelius, Johan Remmelgas, Anders Rasmuson, Berend van Wachem, Ingela Niklasson Björn

Journal:

Chemical Engineering Journal

Year:

2010

Language:

english

File:

PDF, 1.05 MB

english, 2010

14

Empirical to mechanistic modelling in high shear granulation

Ingela Niklasson Björn, Anders Jansson, Magnus Karlsson, Staffan Folestad, Anders Rasmuson

Journal:

Chemical Engineering Science

Year:

2005

Language:

english

File:

PDF, 283 KB

english, 2005

15

A new device for coating single particles under controlled conditions

Daniel Ström, Stina Karlsson, Staffan Folestad, Ingela Niklasson Björn, Thomas Laurell, Johan Nilsson, Anders Rasmuson

Journal:

Chemical Engineering Science

Year:

2005

Language:

english

File:

PDF, 454 KB

english, 2005

16

A volume-based multi-dimensional population balance approach for modelling high shear granulation

Anders Darelius, Henric Brage, Anders Rasmuson, Ingela Niklasson Björn, Staffan Folestad

Journal:

Chemical Engineering Science

Year:

2006

Language:

english

File:

PDF, 259 KB

english, 2006

17

LDA measurements of near wall powder velocities in a high shear mixer

Anders Darelius, Anders Rasmuson, Ingela Niklasson Björn, Staffan Folestad

Journal:

Chemical Engineering Science

Year:

2007

Language:

english

File:

PDF, 191 KB

english, 2007

18

Electron transport and recombination in dye sensitized solar cells fabricated from obliquely sputter deposited and thermally annealed TiO2 films

Sebastian M. Waita, Bernard O. Aduda, Julius M. Mwabora, Claes G. Granqvist, Sten-Eric Lindquist, Gunnar A. Niklasson, Anders Hagfeldt, Gerrit Boschloo

Journal:

Journal of Electroanalytical Chemistry

Year:

2007

Language:

english

File:

PDF, 488 KB

english, 2007

19

High shear wet granulation modelling—a mechanistic approach using population balances

Anders Darelius, Anders Rasmuson, Ingela Niklasson Björn, Staffan Folestad

Journal:

Powder Technology

Year:

2005

Language:

english

File:

PDF, 377 KB

english, 2005

20

Measurement of the particle movement in the fountain region of a Wurster type bed

Stina Karlsson, Ingela Niklasson Björn, Staffan Folestad, Anders Rasmuson

Journal:

Powder Technology

Year:

2006

Language:

english

File:

PDF, 171 KB

english, 2006

21

Scattering of elastic waves by a rectangular crack in an anisotropic half-space

Anders Boström, Tomas Grahn, A.Jonas Niklasson

Journal:

Year:

2003

Language:

english

File:

PDF, 444 KB

english, 2003

22

Influence of maternal, obstetric and fetal risk factors on the prevalence of birth asphyxia at term in a Swedish urban population

Ian Milsom, Lars Ladfors, Klara Thiringer, Aimon Niklasson, Anders Odeback, Eva Thornberg

Journal:

Acta Obstetricia et Gynecologica Scandinavica

Year:

2002

Language:

english

File:

PDF, 97 KB

english, 2002

23

On the delimitation ofMatricariaversusMicrocephala(Asteraceae: Anthemideae)

Kåre Bremer, Helena Eklund, Ghebrehiwet Medhanie, Starri Heidmarsson, Nadina Laurent, Johanne Maad, Jonas Niklasson, Anders Nordin

Journal:

Plant Systematics and Evolution

Year:

1996

Language:

english

File:

PDF, 1.04 MB

english, 1996

24

CFD simulation of the high shear mixing process using kinetic theory of granular flow and frictional stress models

Anders Darelius, Anders Rasmuson, Berend van Wachem, Ingela Niklasson Björn, Staffan Folestad

Journal:

Chemical Engineering Science

Year:

2008

Language:

english

File:

PDF, 1.09 MB

english, 2008

25

Characterization and mathematical modelling of single fluidised particle coating

Stina Karlsson, Anders Rasmuson, Ingela Niklasson Björn, Staffan Schantz

Journal:

Powder Technology

Year:

2011

Language:

english

File:

PDF, 1.76 MB

english, 2011

26

Optical characterization and modeling of black pigments used in thickness-sensitive solar-selective absorbing paints

Tuquabo Tesfamichael, Anders Hoel, Ewa Wäckelgård, Gunnar A Niklasson, Marta K Gunde, Zorica C Orel

Journal:

Year:

2001

Language:

english

File:

PDF, 431 KB

english, 2001

27

Biomass in Sweden: Biomass-fired CHP plant in Eskilstuna

Anders Björklund, Tord Niklasson, Mats Wahlén

Journal:

Year:

2001

Language:

english

File:

PDF, 1.22 MB

english, 2001

28

Forest History as a Basis for Ecosystem Restoration—A Multidisciplinary Case Study in a South Swedish Temperate Landscape

Matts Lindbladh, Jörg Brunet, Gina Hannon, Mats Niklasson, Per Eliasson, Göran Eriksson, Anders Ekstrand

Journal:

Restoration Ecology

Year:

2007

Language:

english

File:

PDF, 585 KB

english, 2007

29

Optical Characterization Method for Black Pigments Applied to Solar-Selective Absorbing Paints

Tesfamichael, Tuquabo, Hoel, Anders, Niklasson, Gunnar A., Wäckelgård, Ewa, Gunde, Marta K., Orel, Zorica C.

Journal:

Year:

2001

Language:

english

File:

PDF, 804 KB

english, 2001

30

Interface core-level shifts as a probe of embedded thin-film quality

Olovsson, Weine, Holmström, Erik, Marten, Tobias, Abrikosov, Igor A., Niklasson, Anders M. N.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 1.07 MB

english, 2011

31

Wave function extended Lagrangian Born-Oppenheimer molecular dynamics

Steneteg, Peter, Abrikosov, Igor, Weber, Valery, Niklasson, Anders

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 339 KB

english, 2010

32

Antigen challenge induces a supraglottic but not a subglottic edema in the rat larynx

Anders Niklasson, Ake R. Dahlqvist

Journal:

Otolaryngology - Head and Neck Surgery

Year:

2004

Language:

english

File:

PDF, 33 KB

english, 2004

33

Antigen challenge induces a supraglottic but not a subglottic edema in the rat larynx

Anders Niklasson, Åke Dahlqvist

Journal:

Otolaryngology - Head and Neck Surgery

Year:

2005

Language:

english

File:

PDF, 493 KB

english, 2005

34

A novel splicing mutation causes an undescribed type of analbuminemia

Monica Campagnoli, Antonio Rossi, Lars Palmqvist, Anders Flisberg, Aimon Niklasson, Lorenzo Minchotti, Monica Galliano

Journal:

Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease

Year:

2002

Language:

english

File:

PDF, 285 KB

english, 2002

35

Extended Lagrangian Born–Oppenheimer molecular dynamics with dissipation

Niklasson, Anders M. N., Steneteg, Peter, Odell, Anders, Bock, Nicolas, Challacombe, Matt, Tymczak, C. J., Holmström, Erik, Zheng, Guishan, Weber, Valery

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 441 KB

english, 2009

36

Computing the Density Matrix in Electronic Structure Theory on Graphics Processing Units

Cawkwell, M. J., Sanville, E. J., Mniszewski, S. M., Niklasson, Anders M. N.

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 1.68 MB

english, 2012

37

Fast method for quantum mechanical molecular dynamics

Niklasson, Anders M. N., Cawkwell, Marc J.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 914 KB

english, 2012

38

Modeling the actinides with disordered local moments

Niklasson, Anders M. N., Wills, John M., Katsnelson, Mikhail I., Abrikosov, Igor A., Eriksson, Olle, Johansson, Börje

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 371 KB

english, 2003

39

Assessment of autonomic nerve function in myotonic dystrophy

Bert-Ove Olofsson, Urban Niklasson, Håkan Forsberg, Per Bjerle, Staffan Andersson, Anders Henriksson

Journal:

Journal of the Autonomic Nervous System

Year:

1990

Language:

english

File:

PDF, 412 KB

english, 1990

40

Extended Born-Oppenheimer Molecular Dynamics

Niklasson, Anders M. N.

Journal:

Physical Review Letters

Year:

2008

Language:

english

File:

PDF, 154 KB

english, 2008

41

Energy conserving, linear scaling Born-Oppenheimer molecular dynamics

Cawkwell, M. J., Niklasson, Anders M. N.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.44 MB

english, 2012

42

NUMBERS AND SIZES OF FIRES: LONG-TERM SPATIALLY EXPLICIT FIRE HISTORY IN A SWEDISH BOREAL LANDSCAPE

Niklasson, Mats, Granström, Anders

Journal:

Year:

2000

Language:

english

File:

PDF, 514 KB

english, 2000

43

Linear scaling density matrix perturbation theory for basis-set-dependent quantum response calculations: An orthogonal formulation

Niklasson, Anders M. N., Weber, Valéry

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 637 KB

english, 2007

44

Time-reversible ab initio molecular dynamics

Niklasson, Anders M. N., Tymczak, C. J., Challacombe, Matt

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1.22 MB

english, 2007

45

Iterative refinement method for the approximate factorization of a matrix inverse

Niklasson, Anders M. N.

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 76 KB

english, 2004

46

CFD simulation of transient particle mixing in a high shear mixer

Nguyen, Duy, Rasmuson, Anders, Niklasson Björn, Ingela, Thalberg, Kyrre

Journal:

Powder Technology

Year:

2014

Language:

english

File:

PDF, 1.17 MB

english, 2014

47

Numerical modelling of breakage and adhesion of loose fine-particle agglomerates

Nguyen, Duy, Rasmuson, Anders, Thalberg, Kyrre, Niklasson Bjo¨rn, Ingela

Journal:

Chemical Engineering Science

Year:

2014

Language:

english

File:

PDF, 1.40 MB

english, 2014

48

Ab Initio Linear Scaling Response Theory: Electric Polarizability by Perturbed Projection

Weber, Valéry, Niklasson, Anders M. N., Challacombe, Matt

Journal:

Physical Review Letters

Year:

2004

Language:

english

File:

PDF, 101 KB

english, 2004

49

Expansion algorithm for the density matrix

Niklasson, Anders M. N.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 363 KB

english, 2002

50

[IEEE 2007 10th International Conference on Information Fusion - Quebec City, QC, Canada (2007.07.9-2007.07.12)] 2007 10th International Conference on Information Fusion - Trajectory clustering for coastal surveillance

Dahlbom, Anders, Niklasson, Lars

Year:

2007

Language:

english

File:

PDF, 1.22 MB

english, 2007

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