Publications

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A

Aue DBetowski D. 2017. The Application of Computational Chemistry to Problems in Mass Spectrometry.

Audus DJ, Delaney KT, Ceniceros HD, Fredrickson GH. 2013. Comparison of Pseudospectral Algorithms for Field-Theoretic Simulations of Polymers. Macromolecules. 46:8383–8391.

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.

Atzberger PJ. 2021. MLMOD Package: Machine Learning Methods for Data-Driven Modeling in LAMMPS. arXiv preprint arXiv:2107.14362.

Arya S, Ganguly P, Arsiccio A, Claud SL, Trapp B, Schonfeld GE, Liu X, Cantrell KLazar, Shea J-E, Bowers MT. 2020. Terminal capping of an amyloidogenic Tau fragment modulates its fibrillation propensity. The Journal of Physical Chemistry B.

Artyukhin S, Delaney KT, Spaldin NA, Mostovoy M. 2013. Landau theory of topological defects in multiferroic hexagonal manganites. Nature Materials.

Arsiccio A, McCarty J, Pisano R, Shea J-E. 2018. Effect of Surfactants on Surface-Induced Denaturation of Proteins: Evidence of an Orientation-Dependent Mechanism. The Journal of Physical Chemistry B. 122:11390–11399.

Arsiccio A, McCarty J, Pisano R, Shea J-E. 2020. Heightened Cold-Denaturation of Proteins at the Ice-Water Interface. Journal of the American Chemical Society.

Arsiccio A, Shea J-E. 2021. Protein Cold Denaturation in Implicit Solvent Simulations: A Transfer Free Energy Approach. The Journal of Physical Chemistry B.

Arsiccio A, Ganguly P, La Cortiglia L, Shea J-E, Pisano R. 2020. ADD Force Field for Sugars and Polyols: Predicting the Additivity of Protein–Osmolyte Interaction. The Journal of Physical Chemistry B. 124:7779–7790.

Alexandrou MA, Swartz BA, Matzke NJ, Oakley TH. 2013. Genome duplication and multiple evolutionary origins of complex migratory behavior in Salmonidae. Molecular phylogenetics and evolution. 69:514–523.

Alexandrou MA, Cardinale BJ, Hall JD, Delwiche CF, Fritschie K, Narwani A, Venail PA, Bentlage B, M. Pankey S, Oakley TH. 2015. Evolutionary relatedness does not predict competition and co-occurrence in natural or experimental communities of green algae. Proceedings of the Royal Society B: Biological Sciences. 282

Alexander GCB, Fabini DH, Seshadri R, Kanatzidis MG. 2018. AuPb2I7: A Narrow Bandgap Au3+ Iodide Semiconductor. Inorganic chemistry.

Albrecht C, Kumar A, Xu S, Hunter A, Beyerlein IJ. 2021. Asymmetric equilibrium core structures of pyramidal-II< c+ a> dislocations in ten hexagonal-close-packed metals. Physical Review Materials. 5:043602.

alap-Ayça SŞ, Jankowski P, Clarke KC, Kyriakidis PC, Nara A. 2017. A meta-modeling approach for spatio-temporal uncertainty and sensitivity analysis: an application for a cellular automata-based Urban growth and land-use change model. International Journal of Geographical Information Science. 32:637–662.

Alabduljalil M, Tang X, Yang T. 2013. Optimizing Parallel Algorithms for All Pairs Similarity Search. Proceedings of the sixth ACM International Conference on Web Search and data mining. WSDM13:203.

Alabduljalil M., Tang X., Yang T.. 2013. Cache-Conscious Performance Optimization for Similarity Search. SIGIR’2013 (Proc. of 36th ACM SIGIR conference on Research and Development in Information Retrieval). (in press)

Akporji N, Thakore RR, Cortes-Clerget M, Andersen J, Landstrom E, Aue DH, Gallou F, Lipshutz BH. 2020. N 2 Phos–an easily made, highly effective ligand designed for ppm level Pd-catalyzed Suzuki–Miyaura cross couplings in water. Chemical Science.

Å

Åkesson T, Blinov N, Bryngemark L, Colegrove O, Collura G, Dutta CDukes, Echenard B, Eichlersmith T, Group C, Hiltbrand J et al.. 2019. A High Efficiency Photon Veto for the Light Dark Matter eXperiment. arXiv preprint arXiv:1912.05535.

Åkesson T, Blinov N, Bryngemark L, Colegrove O, Collura G, Dukes C, Dutta V, Echenard B, Eichlersmith T, Hiltbrand J et al.. 2020. A high efficiency photon veto for the Light Dark Matter eXperiment. Journal of High Energy Physics. 2020:1–35.

A

Agarwal V, Metiu H. 2016. Energy of Oxygen-Vacancy Formation on Oxide Surfaces: Role of the Spatial Distribution. Journal of Physical Chemistry C. 120(4):2320-2323.

Agarwal V, Metiu H. 2019. Rates of adsorption and desorption: Entropic contributions and errors due to mean-field approximations. The Journal of chemical physics. 150:184702.

Agarwal V, Metiu H. 2015. Hydrogen Abstraction Energies and Ammonia Binding to BEA, ZSM-5, and $\alpha$-Quartz Doped with Al, Sc, B, or Ga. The Journal of Physical Chemistry C. 119:16106–16114.

Agarwal V, Peters B. 2014. Nucleation near the eutectic point in a Potts-lattice gas model. The Journal of Chemical Physics. 140:084111.

Agarwal V, Metiu H. 2016. Oxygen Vacancy Formation on $\alpha$-MoO3 Slabs and Ribbons. Journal of Physical Chemistry C. 120(34):19252-19264.

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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.