Publications

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2018
Van de Walle CG.  2018.  PCCP. Phys. Chem. Chem. Phys. 20:12373–12380.
Swift MW, Van de Walle C.G, Fisher MPA.  2018.  Posner molecules: from atomic structure to nuclear spins. Physical Chemistry Chemical Physics. (20):12373-12380.
Yan L., Ravasio R., Brito C., Wyart M.  2018.  Principles for Optimal Cooperativity in Allosteric Materials. Biophysical Journal. 114(12):2787-2798.
2017
Garrison JR, Mishmash RV, Fisher MPA.  2017.  Partial breakdown of quantum thermalization in a Hubbard-like model. Phys. Rev. B. 95:054204.
Tang X, Alabduljalil M, Jin X, Yang T.  2017.  Partitioned Similarity Search with Cache-Conscious Data Traversal. ACM Transactions on Knowledge Discovery from Data (TKDD). 11:34.
Pan L, Zhang D, Hung H-H, Liu Y-J.  2017.  Phase diagram of the frustrated asymmetric ferromagnetic spin ladder. The European Physical Journal B. 90:105.
Wang W, Janotti A, Van de Walle CG.  2017.  Phase transformations upon doping in WO3. The Journal of Chemical Physics. 146:214504.
Guo H, Yang X.  2017.  Polynomial preserving recovery for high frequency wave propagation. Journal of Scientific Computing. 71:594–614.
2016
Goiri JGabriel, Van der Ven A.  2016.  Phase and structural stability in Ni-Al systems from first principles. Physical Review B. 94(9):14.
Liu J, Delaney KT, Fredrickson GH.  2016.  Phase field mapping for accurate, ultrafast simulations of directed self-assembly. SPIE Advanced Lithography.
Bjaalie L, Janotti A, Krishnaswamy K, Van de Walle CG.  2016.  Point defects, impurities, and small hole polarons in GdTiO 3. Physical Review B. 93:115316.
Guo H, Yang X.  2016.  Polynomial Preserving Recovery for High Frequency Wave Propagation. Journal of Scientific Computing. 69(1):1–21.
2015
Medrano FAntonio, Church RLee.  2015.  A Parallel Computing Framework for Finding the Supported Solutions to a Biobjective Network Optimization Problem. Journal of Multi-Criteria Decision Analysis. 22(5-6):244-259.
Audus DJ, Gopez JD, Krogstad DV, Lynd NA, Kramer EJ, Hawker CJ, Fredrickson GH.  2015.  Phase behavior of electrostatically complexed polyelectrolyte gels using an embedded fluctuation model. Soft Matter. 11:1214-1225.
Naughton HR, Alexandrou MA, Oakley TH, Cardinale BJ.  2015.  Phylogenetic distance does not predict competition in green algal communities. Ecosphere. 6:art116.
2014
Lugowski A, Kamil S, Buluc A, Williams S, Duriakova E, Oliker L, Fox A, Gilbert JR.  2014.  Parallel processing of filtered queries in attributed semantic graphs. Journal of Parallel and Distributed Computing.
Mester Z, Lynd NA, Delaney KT, Fredrickson GH.  2014.  Phase Coexistence Calculations of Reversibly Bonded Block Copolymers: A Unit Cell Gibbs Ensemble Approach. Macromolecules.
Douglas JE, Birkel CS, Verma N, Miller VM, Miao M-S, Stucky GD, Pollock TM, Seshadri R.  2014.   Phase stability and property evolution of biphasic Ti–Ni–Sn alloys for use in thermoelectric applications. Journal of Applied Physics. 115:043720–043720.
M Pankey S, Minin VN, Imholte GC, Suchard MA, Oakley TH.  2014.  Predictable transcriptome evolution in the convergent and complex bioluminescent organs of squid. Proceedings of the National Academy of Sciences. 111:E4736–E4742.
Botana J, Miao M-S.  2014.  Pressure-stabilized lithium caesides with caesium anions beyond the- 1 state. Nature communications. 5
2013
Kalantari NKhademi, Shechtman E, Barnes C, Darabi S, Goldman DB, Sen P.  2013.  Patch-Based High Dynamic Range Video. ACM Transactions on Graphics (TOG). 32:202.
Oakley TH, Wolfe JM, Lindgren AR, Zaharoff AK.  2013.  Phylotranscriptomics to Bring the Understudied into the Fold: Monophyletic Ostracoda, Fossil Placement and Pancrustacean Phylogeny. Molecular Biology and Evolution. 30(1):215.
Delaney KT, Fredrickson GH.  2013.  Polymer Field-Theory Simulations on Graphics Processing Units. Comp Phys Comm. (in press)
Brgoch J, DenBaars SP, Seshadri R.  2013.  Proxies from Ab Initio Calculations for Screening Efficient Ce3+ Phosphor Hosts. The Journal of Physical Chemistry C. 117:17955–17959.
2012
Detrixhe M, Gibou F, Min C.  2012.  A parallel fast sweeping method for the Eikonal equation. Journal of Computational Physics. 237:46.

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Acknowledgements

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We acknowledge support from the Center for Scientific Computing from the CNSI, MRL: an NSF MRSEC (DMR-1720256) and NSF CNS-1725797.

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