Department Publications

2020s

2023

  1. Jason A. Meziere, Yu Luo, Yi Xia, Laurent Karim Béland, Mark R. Daymond, and Gus L. W. Hart
    J. Mat. Res. , (2023).
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  2. Yu Luo, Jason A. Meziere, German D. Samolyuk, Gus L. W. Hart, Mark R. Daymond, and Laurent Karim Béland
    J. Chem. Theory Comput. 19 (19), 6848-6856 (2023).
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  3. Joshua F. Belot, Valentin Taufour, Stefano Sanvito, and Gus L. W. Hart
    Appl. Phys. Lett. 123 (4), (2023).
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  4. Dávid P. Kovács, Ilyes Batatia, Miguel A. Caro, Gus L. W. Hart, Christoph Ortner, and Gábor Csányi
    Phys. Rev. Lett. 131 (2), 028001 (2023).
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  5. Matthew J. Patrick, Gregory S. Rohrer, Ooraphan Chirayutthanasak, Sutatch Ratanaphan, Eric R. Homer, Gus L. W. Hart, Yekaterina Epshteyn, and Katayun Barmak
    Acta Mater. 242, 118476 (2023).
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2022

  1. Eric R. Homer, Gus L.W. Hart, C. Braxton Owens, Derek M. Hensley, Jay C. Spendlove, and Lydia Harris Serafin
    Acta Mater. 234, 118006 (2022).
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  2. Eric R. Homer, Gus L.W. Hart, C. Braxton Owens, Derek Hensley, Jay Spendlove, and Lydia Harris Serafin
    Acta Mater. 234, 118006 (2022).
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2021

  1. Jeremy J. Jorgensen, John E. Christensen, Tyler J. Jarvis, and Gus L. W. Hart
    Commun. Comput. Phys. 31 (2), 495-515 (2021).
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  2. David Hicks, Michael J. Mehl, Marco Esters, Corey Oses, Ohad Levy, Gus L.W. Hart, Cormac Toher, and Stefano Curtarolo
    Comput. Mater. Sci. 199, 110450 (2021).
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  3. Gus L. W. Hart, Tim Mueller, Cormac Toher, and Stefano Curtarolo
    Nat. Rev. Mater. 6, 730-755 (2021).
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  4. Jeremy Jorgensen and Gus L W Hart
    Model. Simul. Mater. Sci. Eng. 29 (6), 065014 (2021).
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  5. Conrad W. Rosenbrock, Konstantin Gubaev, Alexander V. Shapeev, Livia B. Pártay, Noam Bernstein, Gábor Csányi, and Gus L. W. Hart
    NPJ Comput. Mater. 7 (1), 24 (2021).
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2020

  1. Cormac Toher, Corey Oses, David Hicks, Eric Gossett, Frisco Rose, Pinku Nath, … Gus L. W. Hart, … (44 other authors)
    in Handbook of Materials Modeling: Methods: Theory and Modeling, (Springer, Cham).
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  2. Wiley S. Morgan, John E. Christensen, Parker K. Hamilton, Jeremy J. Jorgensen, Branton J. Campbell, Gus L.W. Hart, and Rodney W. Forcade
    Comput. Mater. Sci. 173, 109340 (2020).
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  3. Kedar Manandhar, Yaoyu Ren, Drew Stasak, Huilong Hou, Dylan Kirsch, Suchismita Sarker, … Gus Hart, … (8 other authors)
    ACS Appl. Energy Mater. 3 (3), 2547-2555 (2020).
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2010s

2019

  1. Eric R. Homer, Derek M. Hensley, Conrad W. Rosenbrock, Andrew H. Nguyen, and Gus L. W. Hart
    Found. Phys. 6, 168 (2019).
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  2. Gus L W Hart, Jeremy J Jorgensen, Wiley S Morgan, and Rodney W Forcade
    J. Phys. Commun. 3 (6), 065009 (2019).
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  3. Chandramouli Nyshadham, Matthias Rupp, Brayden Bekker, Alexander V. Shapeev, Tim Mueller, Conrad W. Rosenbrock, … and Gus L. W. Hart (2 other authors)
    NPJ Comput. Mater. 5 (1), 51 (2019).
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  4. Konstantin Gubaev, Evgeny V. Podryabinkin, Gus L.W. Hart, and Alexander V. Shapeev
    Comput. Mater. Sci. 156, 148-156 (2019).
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2018

  1. Wiley S. Morgan, Jeremy J. Jorgensen, Bret C. Hess, and Gus L.W. Hart
    Comput. Mater. Sci. 153, 424-430 (2018).
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2017

  1. Conrad W. Rosenbrock, Eric R. Homer, Gábor Csányi, and Gus L. W. Hart
    NPJ Comput. Mater. 3, 29 (2017).
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  2. Wiley S. Morgan, Gus L. W. Hart, and Rodney W. Forcade
    Comput. Mater. Sci. 136, 144-149 (2017).
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  3. Andrew H. Nguyen, Conrad W. Rosenbrock, C. Shane Reese, and Gus L. W. Hart
    Phys. Rev. B 96, 014107 (2017).
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  4. Michael J. Mehl, David Hicks, Cormac Toher, Ohad Levy, Robert M. Hanson, Gus Hart, and Stefano Curtarolo
    Comput. Mater. Sci. 136, Supplement, s1-s828 (2017).
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  5. Gus L.W. Hart, Lance J. Nelson, Richard R. Vanfleet, Branton J. Campbell, Marcel H.F. Sluiter, Jan H. Neethling, … (5 other authors)
    Acta Mater. 124, 325-332 (2017).
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2016

  1. Chandramouli Nyshadham, Corey Oses, Jacob E. Hansen, Ichiro Takeuchi, Stefano Curtarolo, and Gus L.W. Hart
    Acta Mater. 122, 438-447 (2016).
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  2. Conrad W. Rosenbrock, Wiley S. Morgan, Gus L. W. Hart, Stefano Curtarolo, and Rodney W. Forcade
    JEA 12 (1), 1.11 (2016).
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  3. Demet Usanmaz, Pinku Nath, Jose J. Plata, Gus L. W. Hart, Ichiro Takeuchi, Marco Buongiorno Nardelli, Marco Fornaribg, and Stefano Curtarolo
    Phys. Chem. Chem. Phys. 18 (6), 5005-5011 (2016).
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2015

  1. M. Lyon, S. D. Bergeson, G. Hart, and M. S. Murillo
    Sci. Rep. 5, 15693 (2015).
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  2. Camilo E. Calderon, Jose J. Plata, Cormac Toher, Corey Oses, Ohad Levy, Marco Fornari, … Gus Hart, … (4 other authors)
    Comput. Mater. Sci. 108, 233-238 (2015).
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  3. Michael J. Mehl, Daniel Finkenstadt, Christian Dane, Gus L. W. Hart, and Stefano Curtarolo
    Phys. Rev. B 91, 184110 (2015).
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2014

  1. Chumani Mshumi, Candace I. Lang, Lauren R. Richey, K.C. Erb, Conrad W. Rosenbrock, Lance J. Nelson, Richard R. Vanfleet, Harold T. Stokes, Branton J. Campbell, and Gus L. W. Hart
    Acta Mater. 73, 326-336 (2014).
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2013

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  2. Lance J. Nelson, Vidvuds Ozolins, C. Shane Reese, Fei Zhou, and Gus L. W. Hart
    Phys. Rev. B 88 (15), 155105 (2013).
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  3. Stefano Curtarolo, Gus L. W. Hart, Marco Buongiorno Nardelli, Natalio Mingo, Stefano Sanvito, and Ohad Levy
    Nat. Mater. 12 (3), 191-201 (2013).
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  4. Lance J. Nelson, Gus L. W. Hart, Fei Zhou, and Vidvuds Ozolins
    Phys. Rev. B 87 (3), 035125 (2013).
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2012

  1. Nature 491 (7426), 674-675 (2012).
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  2. Gus L. W. Hart, Lance J. Nelson, and Rodney W. Forcade
    Comput. Mater. Sci. 59, 101-107 (2012).
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  3. Stefano Curtarolo, Wahyu Setyawan, Gus L. W. Hart, Michal Jahnatek, Roman V. Chepulskii, Richard H. Taylor, … Harold T. Stokes, … (7 other authors)
    Comput. Mater. Sci. 58, 218-226 (2012).
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  4. Stefano Curtarolo, Wahyu Setyawan, Shidong Wang, Junkai Xue, Kesong Yang, Richard H. Taylor, Lance J. Nelson, Gus L. W. Hart, … (4 other authors)
    Comput. Mater. Sci. 58, 227-235 (2012).
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  5. Lance J. Nelson, Gus L. W. Hart, and Stefano Curtarolo
    Phys. Rev. B 85 (5), 054203 (2012).
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  6. Ohad Levy, Junkai Xue, Shidong Wang, Gus L. W. Hart, and Stefano Curtarolo
    Phys. Rev. B 85 (1), 012201 (2012).
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2011

  1. Michal Jahnatek, Ohad Levy, Gus L. W. Hart, Lance J. Nelson, Roman V. Chepulskii, J. Xue, and Stefano Curtarolo
    Phys. Rev. B 84 (21), 214110 (2011).
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  2. Derek A. Carr, Jacqueline Corbitt, Gregory R. Hart, Erin Gilmartin, and Gus L.W. Hart
    Comput. Mater. Sci. 51 (1), 331-339 (2011).
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  3. Richard H. Taylor, Stefano Curtarolo, and Gus L. W. Hart
    Phys. Rev. B 84 (8), 084101 (2011).
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  4. Tobias C. Kerscher, Stefan Müller, Quinn O. Snell, and Gus L. W. Hart
    2011 IEEE International Parallel & Distributed Processing Symposium, (May 2011, Anchorage, AK).
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  5. Michael J. Mehl, Gus L. W. Hart, and Stefano Curtarolo
    J. Alloy. Compd. 509 (3), 560-567 (2011).
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  6. Ohad Levy, Michal Jahnatek, Roman V. Chepulskii, Gus L. W. Hart, and Stefano Curtarolo
    J. Am. Chem. Soc. 133 (1), 158-163 (2011).
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2010

  1. Richard H. Taylor, Stefano Curtarolo, and Gus L. W. Hart
    J. Am. Chem. Soc. 132 (19), 6851-6854 (2010).
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  2. Ohad Levy, Gus L. W. Hart, and Stefano Curtarolo
    Acta Mater. 58 (8), 2887-2897 (2010).
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  3. Ohad Levy, Gus L. W. Hart, and Stefano Curtarolo
    Phys. Rev. B 81 (17), 174106 (2010).
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  4. Ohad Levy, Gus L. W. Hart, and Stefano Curtarolo
    J. Am. Chem. Soc. 132 (13), 4830-4833 (2010).
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  5. Bjoern Arnold, Alejandro Diaz Ortiz, Gus L. W. Hart, and Helmut Dosch
    Phys. Rev. B 81 (9), 094116 (2010).
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  6. Ohad Levy, Roman V. Chepulskii, Gus L. W. Hart, and Stefano Curtarolo
    J. Am. Chem. Soc. 132 (2), 833-837 (2010).
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  7. Richard H. Taylor, Stefano Curtarolo, and Gus L. W. Hart
    Phys. Rev. B 81 (2), 024112 (2010).
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2000s

2009

  1. D. Lerch, O. Wieckhorst, G. L. W. Hart, R. W. Forcade, and S. Mueller
    Model. Simul. Mater. Sci. Eng. 17 (5), 055003 (2009).
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  4. Stefan Barthlein, Elke Winning, Gus L. W. Hart, and Stefan Muller
    Acta Mater. 57 (5), 1660-1665 (2009).
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  5. Benjamin J. Wilson, Gus L. W. Hart, and Allen C. Parcell
    Medical Physiology Online 1, (2009).
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2008

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  2. Gus L. W. Hart and Rodney W. Forcade
    Phys. Rev. B 77 (22), 224115 (2008).
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2007

  1. Nat. Mater. 6 (12), 941-945 (2007).
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  2. S. Baerthlein, G. L. W. Hart, A. Zunger, and S. Mueller
    J. Phys.: Condens. Matter 19 (3), 032201 (2007).
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2006

  1. Brian Kolb, Stefan Mueller, David B. Botts, and Gus L. W. Hart
    Phys. Rev. B 74 (14), 144206 (2006).
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2005

  1. Peter A. Graf, Kwiseon Kim, Wesley B. Jones, and Gus L. W. Hart
    Appl. Phys. Lett. 87 (24), (2005).
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  4. G. L. W. Hart, V. Blum, M. J. Walorski, and A. Zunger
    Nat. Mater. 4 (5), 391-394 (2005).
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  5. Gus L. W. Hart, Barry M. Klein, and Shanadeen Begay
    Complex Inorganic Solids: Structural, Stability, and Magnetic Properties of Alloys, P. E. A. Turchi, A. Gonis, K. Rajan, and A. Meike (Eds.), Springer (Berlin 2005)
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2004

  1. Laurian Escalanti and Gus L. W. Hart
    Appl. Phys. Lett. 84 (5), 705-707 (2004).
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  2. A Coherency Strain Model for Hexagonal-Close-Packed Alloys
    Chris Varney, G. L. W. Hart, and C. Wolverton
    TMS Lett. 1 (2), 35 (2004).
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2003

  1. M. Sanati, G. L. W. Hart, and A. Zunger
    Phys. Rev. B 68 (15), 155210 (2003).
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2002

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  2. A. Zunger, L. G. Wang, G. L. W. Hart, and M. Sanati
    Model. Simul. Mater. Sci. Eng. 10 (6), 685-706 (2002).
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2001

  1. Gus L. W. Hart and Alex Zunger
    Phys. Rev. Lett. 87 (27), 275508 (2001).
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  2. J. E. Klepeis, O. Beckstein, O. Pankratov, and G. L. W. Hart
    Phys. Rev. B 64 (15), 155110 (2001).
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  3. O. Beckstein, J. E. Klepeis, G. L. W. Hart, and O. Pankratov
    Phys. Rev. B 63 (13), 134112 (2001).
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2000

  1. Gus L. W. Hart and Alex Zunger
    Phys. Rev. B 62 (20), 13522-13537 (2000).
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  2. BAs–GaAs Semiconductor Alloys as a Photovoltaic Alternative to Nitride Alloys
    G. L. W. Hart and A. Zunger
    National Center for Photovoltaics Program Review
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  3. G. L. W. Hart and B. M. Klein
    Phys. Rev. B 61 (5), 3151-3154 (2000).
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  4. G. L. W. Hart, W. E. Pickett, E. Z. Kurmaev, D. Hartmann, M. Neumann, A. Moewes, … (4 other authors)
    Phys. Rev. B 61 (6), 4230-4237 (2000).
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