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1

Analytical potential for atomistic simulations of silicon, carbon, and silicon carbide

Erhart, Paul, Albe, Karsten

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 261 KB

english, 2005

2

Low Molecular Weight Norbornadiene Derivatives for Molecular Solar-Thermal Energy Storage

Quant, Maria, Lennartson, Anders, Dreos, Ambra, Kuisma, Mikael, Erhart, Paul, Börjesson, Karl, Moth-Poulsen, Kasper

Journal:

Chemistry - A European Journal

Year:

2016

Language:

english

File:

PDF, 889 KB

english, 2016

3

High-entropy alloys as high-temperature thermoelectric materials

Shafeie, Samrand, Guo, Sheng, Hu, Qiang, Fahlquist, Henrik, Erhart, Paul, Palmqvist, Anders

Journal:

Journal of Applied Physics

Year:

2015

Language:

english

File:

PDF, 2.05 MB

english, 2015

4

Atomicrex—a general purpose tool for the construction of atomic interaction models

Stukowski, Alexander, Fransson, Erik, Mock, Markus, Erhart, Paul

Journal:

Modelling and Simulation in Materials Science and Engineering

Year:

2017

Language:

english

File:

PDF, 608 KB

english, 2017

5

Understanding Chemical Ordering in Bimetallic Nanoparticles from Atomic Scale Simulations: The Competition between Bulk, Surface and Strain

Rahm, J. Magnus, Erhart, Paul

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 5.88 MB

english, 2018

6

Calculation of the substitutional fraction of ion-implanted He in an α-Fe target

Paul Erhart, Jaime Marian

Journal:

Journal of Nuclear Materials

Year:

2011

Language:

english

File:

PDF, 357 KB

english, 2011

7

Scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys

Sadigh, Babak, Erhart, Paul, Stukowski, Alexander, Caro, Alfredo, Martinez, Enrique, Zepeda-Ruiz, Luis

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 583 KB

english, 2012

8

Efficient implementation of the concentration-dependent embedded atom method for molecular-dynamics and Monte-Carlo simulations

Stukowski, Alexander, Sadigh, Babak, Erhart, Paul, Caro, Alfredo

Journal:

Modelling and Simulation in Materials Science and Engineering

Year:

2009

Language:

english

File:

PDF, 141 KB

english, 2009

9

First-principles study of intrinsic point defects in ZnO: Role of band structure, volume relaxation, and finite-size effects

Erhart, Paul, Albe, Karsten, Klein, Andreas

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 418 KB

english, 2006

10

Energy Band Alignment between Anatase and Rutile TiO 2

Pfeifer, Verena, Erhart, Paul, Li, Shunyi, Rachut, Karsten, Morasch, Jan, Brötz, Joachim, Reckers, Philip, Mayer, Thomas, Rühle, Sven, Zaban, Arie, Mora Seró, Iván, Bisquert, Juan, Jaegermann, Wolfram

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 1.00 MB

english, 2013

11

Norbornadiene-based photoswitches with exceptional combination of solar spectrum match and long term energy storage

Jevric, Martyn, Petersen, Anne U, Mansø, Mads, Sing, Sandeep Kumar, Wang, Zhihang, Dreos, Ambra, Sumby, Christopher, Nielsen, Mogens Brøndsted, Börjesson, Karl, Erhart, Paul, Moth-Poulsen, Kasper

Journal:

Chemistry - A European Journal

Year:

2018

Language:

english

File:

PDF, 1.87 MB

english, 2018

12

Norbornadiene-Based Photoswitches with Exceptional Combination of Solar Spectrum Match and Long-Term Energy Storage

Jevric, Martyn, Petersen, Anne U., Mansø, Mads, Kumar Singh, Sandeep, Wang, Zhihang, Dreos, Ambra, Sumby, Christopher, Nielsen, Mogens Brøndsted, Börjesson, Karl, Erhart, Paul, Moth-Poulsen, Kasper

Journal:

Chemistry - A European Journal

Year:

2018

File:

PDF, 3.92 MB

2018

13

A Record Chromophore Density in High-Entropy Liquids of Two Low-Melting Perylenes: A New Strategy for Liquid Chromophores

Kushwaha, Khushbu, Yu, Liyang, Stranius, Kati, Singh, Sandeep Kumar, Hultmark, Sandra, Iqbal, Muhammad Naeem, Eriksson, Lars, Johnston, Eric, Erhart, Paul, Müller, Christian, Börjesson, Karl

Journal:

Advanced Science

Year:

2019

Language:

english

File:

PDF, 1.78 MB

english, 2019

14

A Library of Late Transition Metal Alloy Dielectric Functions for Nanophotonic Applications

Rahm, J. Magnus, Tiburski, Christopher, Rossi, Tuomas P., Nugroho, Ferry Anggoro Ardy, Nilsson, Sara, Langhammer, Christoph, Erhart, Paul

Journal:

Advanced Functional Materials

Year:

2020

File:

PDF, 1.79 MB

2020

15

Defects from phonons: Atomic transport by concerted motion in simple crystalline metals

Fransson, Erik, Erhart, Paul

Journal:

Acta Materialia

Year:

2020

File:

PDF, 1.05 MB

2020

16

Imaging temperature changes in an interventional 0.5 T magnet: In-vitro results

Steiner, Paul, Schoenenberger, Andreas W., Erhart, Peter, Penner, Erik, von Schulthess, Gustav K., Debatin, Jörg F.

Journal:

Lasers in Surgery and Medicine

Year:

1997

Language:

english

File:

PDF, 272 KB

english, 1997

17

Single-loop coil concepts for intravascular magnetic resonance imaging

Harald H. Quick, Mark E. Ladd, Gesine G. Zimmermann-Paul, Peter Erhart, Eugen Hofmann, Gustav K. von Schulthess, Jörg F. Debatin

Journal:

Magnetic Resonance in Medicine

Year:

1999

Language:

english

File:

PDF, 240 KB

english, 1999

18

Batteryless Chemical Detection with Semiconductor Nanowires

Xianying Wang, Yinmin Wang, Daniel Åberg, Paul Erhart, Nipun Misra, Aleksandr Noy, Alex V. Hamza, Junhe Yang

Journal:

Advanced Materials

Year:

2011

Language:

english

File:

PDF, 559 KB

english, 2011

19

Nanosensors: Batteryless Chemical Detection with Semiconductor Nanowires (Adv. Mater. 1/2011)

Xianying Wang, Yinmin Wang, Daniel Åberg, Paul Erhart, Nipun Misra, Aleksandr Noy, Alex V. Hamza, Junhe Yang

Journal:

Advanced Materials

Year:

2011

File:

PDF, 1.22 MB

2011

20

Temperature quantification using the proton frequency shift technique: In vitro and in vivo validation in an open 0.5 tesla interventional MR scanner during RF ablation

René M. Botnar, Paul Steiner, Benjamin Dubno, Peter Erhart, Gustav K. von Schulthess, Jörg F. Debatin

Journal:

Journal of Magnetic Resonance Imaging

Year:

2001

Language:

english

File:

PDF, 409 KB

english, 2001

21

Tissue-independent MR tracking of invasive devices with an internal signal source

Dr. Peter Erhart, Mark E. Ladd, Paul Steiner, Norbert Heske, Charles L. Dumoulin, Jöorg F. Debatin

Journal:

Magnetic Resonance in Medicine

Year:

1998

Language:

english

File:

PDF, 564 KB

english, 1998

22

The role of thermostats in modeling vapor phase condensation of silicon nanoparticles

Paul Erhart, Karsten Albe

Journal:

Applied Surface Science

Year:

2004

Language:

english

File:

PDF, 267 KB

english, 2004

23

MR-guided cholecystostomy: Assessment of biplanar, real-time needle tracking in three pigs

Susanne C. Göhde, Thomas Pfammatter, Paul Steiner, Peter Erhart, Benjamin J. Romanowski, Jörg F. Debatin

Journal:

CardioVascular and Interventional Radiology

Year:

1997

Language:

english

File:

PDF, 1.14 MB

english, 1997

24

Magnetic resonance-guided laparoscopic interstitial laser therapy of the liver

Hans Peter Klotz, Renata Flury, Peter Erhart, Paul Steiner, Jörg Felix Debatin, Georg Uhlschmid, Felix Largiadèr

Journal:

The American Journal of Surgery

Year:

1997

Language:

english

File:

PDF, 1.22 MB

english, 1997

25

Comparison of mRAST and CAP with skin end point titration for Alternaria tenuis and Dermatophagoides pteronyssinus

DAVID W. CHAMBERS, PAUL R. COOK, GARY J. NISHIOKA, PHYLLIS ERHART

Journal:

Otolaryngology - Head and Neck Surgery

Year:

1997

Language:

english

File:

PDF, 873 KB

english, 1997

26

Band structure of indium oxide: Indirect versus direct band gap

Erhart, Paul, Klein, Andreas, Egdell, Russell G., Albe, Karsten

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 519 KB

english, 2007

27

Phonon instabilities in uniaxially compressed fcc metals as seen in molecular dynamics simulations

Kimminau, Giles, Erhart, Paul, Bringa, Eduardo M., Remington, Bruce, Wark, Justin S.

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 143 KB

english, 2010

28

Calculation of excess free energies of precipitates via direct thermodynamic integration across phase boundaries

Sadigh, Babak, Erhart, Paul

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 523 KB

english, 2012

29

Analytic bond-order potential for bcc and fcc iron—comparison with established embedded-atom method potentials

Müller, Michael, Erhart, Paul, Albe, Karsten

Journal:

Journal of Physics Condensed Matter

Year:

2007

Language:

english

File:

PDF, 591 KB

english, 2007

30

Charge carrier scattering by defects in semiconductors

Lordi, Vincenzo, Erhart, Paul, Åberg, Daniel

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 209 KB

english, 2010

31

A first-principles study of helium storage in oxides and at oxide–iron interfaces

Journal:

Journal of Applied Physics

Year:

2012

Language:

english

File:

PDF, 1.82 MB

english, 2012

32

Short-range order and precipitation in Fe-rich Fe-Cr alloys: Atomistic off-lattice Monte Carlo simulations

Erhart, Paul, Caro, Alfredo, Serrano de Caro, Magdalena, Sadigh, Babak

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 696 KB

english, 2008

33

Geometry, electronic structure and thermodynamic stability of intrinsic point defects in indium oxide

Ágoston, Péter, Erhart, Paul, Klein, Andreas, Albe, Karsten

Journal:

Journal of Physics Condensed Matter

Year:

2009

Language:

english

File:

PDF, 559 KB

english, 2009

34

Analytic bond-order potential for atomistic simulations of zinc oxide

Erhart, Paul, Juslin, Niklas, Goy, Oliver, Nordlund, Kai, Müller, Ralf, Albe, Karsten

Journal:

Journal of Physics Condensed Matter

Year:

2006

Language:

english

File:

PDF, 652 KB

english, 2006

35

Pressure-induced phase transition in the electronic structure of palladium nitride

Åberg, Daniel, Erhart, Paul, Crowhurst, Jonathan, Zaug, Joseph M., Goncharov, Alexander F., Sadigh, Babak

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 1.24 MB

english, 2010

36

ordering in FePt nanoparticles studied by Monte Carlo simulations based on an analytic bond-order potential

Müller, Michael, Erhart, Paul, Albe, Karsten

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 324 KB

english, 2007

37

Formation and switching of defect dipoles in acceptor-doped lead titanate: A kinetic model based on first-principles calculations

Erhart, Paul, Träskelin, Petra, Albe, Karsten

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 572 KB

english, 2013

38

-iron from atomistic simulations

Erhart, Paul, Marian, Jaime, Sadigh, Babak

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 3.18 MB

english, 2013

39

Te alloys

Åberg, Daniel, Erhart, Paul, Lordi, Vincenzo

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 786 KB

english, 2013

40

Molecular dynamics simulations of shock-induced plasticity in tantalum

Tramontina, Diego, Erhart, Paul, Germann, Timothy, Hawreliak, James, Higginbotham, Andrew, Park, Nigel, Ravelo, Ramón, Stukowski, Alexander, Suggit, Mathew, Tang, Yizhe, Wark, Justin, Bringa, Eduardo

Journal:

High Energy Density Physics

Year:

2014

Language:

english

File:

PDF, 1.55 MB

english, 2014

41

from many-body perturbation theory

Erhart, Paul, Schleife, André, Sadigh, Babak, Åberg, Daniel

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 1.45 MB

english, 2014

42

Surface potential at a ferroelectric grain due to asymmetric screening of depolarization fields

Genenko, Yuri A., Hirsch, Ofer, Erhart, Paul

Journal:

Journal of Applied Physics

Year:

2014

Language:

english

File:

PDF, 1.41 MB

english, 2014

43

Modeling the electrical conductivity in BaTiO[sub 3] on the basis of first-principles calculations

Erhart, Paul, Albe, Karsten

Journal:

Journal of Applied Physics

Year:

2008

Language:

english

File:

PDF, 804 KB

english, 2008

44

Additional Article Notification: Anisotropic growth of gold nanoparticles using cationic gemini surfactants: effects of structure variations in head and tail groups

Jain, Titoo, Tehrani-Bagha, Ali R., Shekhar, Himanshu, Crawford, Ross, Johnson, Erik, Nørgaard, Kasper, Holmberg, Krister, Erhart, Paul, Moth-Poulsen, Kasper

Journal:

Journal of Materials Chemistry C

Year:

2014

Language:

english

File:

PDF, 923 KB

english, 2014

45

First-principles study of the structure and stability of oxygen defects in zinc oxide

Erhart, Paul, Klein, Andreas, Albe, Karsten

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 352 KB

english, 2005

46

Thermodynamics of mono- and di-vacancies in barium titanate

Erhart, Paul, Albe, Karsten

Journal:

Journal of Applied Physics

Year:

2007

Language:

english

File:

PDF, 579 KB

english, 2007

47

Intrinsic point defects in aluminum antimonide

Åberg, Daniel, Erhart, Paul, Williamson, Andrew J., Lordi, Vincenzo

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 374 KB

english, 2008

48

Theory-guided growth of aluminum antimonide single crystals with optimal properties for radiation detection

Erhart, Paul, Åberg, Daniel, Sturm, Benjamin W., Wu, Kuang-Jen, Lordi, Vincenzo

Journal:

Applied Physics Letters

Year:

2010

Language:

english

File:

PDF, 344 KB

english, 2010

49

calculations

Åberg, Daniel, Sadigh, Babak, Erhart, Paul

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 497 KB

english, 2012

50

Ferroelectrics

Eichel, Rüdiger-A., Erhart, Paul, Träskelin, Petra, Albe, Karsten, Kungl, Hans, Hoffmann, Michael J.

Journal:

Physical Review Letters

Year:

2008

Language:

english

File:

PDF, 341 KB

english, 2008

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