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2020

Khanna V, Monroe JI, Doherty MF, Peters B. 2020. Performing solvation free energy calculations in LAMMPS using the decoupling approach. Journal of Computer-Aided Molecular Design. :1–6.

Goodheart JA, Wägele H. 2020. Phylogenomic analysis and morphological data suggest left-right swimming behavior evolved prior to the origin of the pelagic Phylliroidae (Gastropoda: Nudibranchia). Organisms Diversity & Evolution. :1–11.

Giammona J, CampÀs O. 2020. Physical constraints on early blastomere packings. bioRxiv.

Zhang X, Vigers M, McCarty J, Rauch JN, Fredrickson GH, Wilson MZ, Shea J-E, Han S, Kosik K. 2020. The Proline-rich Domain Promotes Tau Liquid Liquid Phase Separation in Cells. bioRxiv.

Rowberg A, Krishnaswamy K, Van de Walle CG. 2020. Prospects for high carrier mobility in the cubic germanates. Semiconductor Science and Technology.

Ganguly P, Polak J, van der Vegt NFA, Heyda J, Shea J-E. 2020. Protein Stability in TMAO and Mixed Urea-TMAO Solutions. The Journal of Physical Chemistry B.

2019

Xu S, Mianroodi JR, Hunter A, Beyerlein IJ, Svendsen B. 2019. Phase-field-based calculations of the disregistry fields of static extended dislocations in FCC metals. Philosophical Magazine. 99:1400–1428.

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.

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Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 1720256) at UC Santa Barbara.