Publications

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Sofia Quaglioni, Carolina Romero-Redondo, Petr Navrátil, Guillaume Hupin, "Three-cluster dynamics within the ab initio no-core shell model with continuum: How many-body correlations and α clustering shape 6He," Physical Review C, March 2018,  vol. 97, no. 3, American Physical Society, 2018 , pp. 034332, . doi: 10.1103/PhysRevC.97.034332 view abstract
Matteo Vorabbi, Angelo Calci, Petr Navrátil, Michael K. G. Kruse, Sofia Quaglioni, Guillaume Hupin, "Structure of the exotic 9He nucleus from the no-core shell model with continuum," Physical Review C, March 2018,  vol. 97, no. 3, American Physical Society, 2018 , pp. 034314, . doi: 10.1103/PhysRevC.97.034314 view abstract
Michael Gennari, Matteo Vorabbi, Angelo Calci, Petr Navrátil, "Microscopic optical potentials derived from ab initio translationally invariant nonlocal one-body densities," Physical Review C, March 2018,  vol. 97, no. 3, American Physical Society, 2018 , pp. 034619, . doi: 10.1103/PhysRevC.97.034619c view abstract
Peilong Lu, Duyoung Min, Frank DiMaio, Kathy Y. Wei, Michael D. Vahey, Scott E. Boyken, Zibo Chen, Jorge A. Fallas, George Ueda, William Sheffler, Vikram Khipple Mulligan, Wenqing Xu, James U. Bowie, David Baker, "Accurate computational design of multipass transmembrane proteins," Science, March 2018,  vol. 359, no. 6379, AAAS, 2018 , pp. 1042-1046, . doi: 10.1126/science.aaq1739 view abstract
Hahnbeom Park, Sergey Ovchinnikov, David E. Kim, Frank DiMaio, David Baker, "Protein homology model refinement by large-scale energy optimization," Proceedings of the National Academy of Sciences, March 2018,  vol. 115, no. 12, PNAS, 2018 , pp. 3054-3059, . doi: 10.1073/pnas.1719115115 view abstract
Sergey Ovchinnikov, Hahnbeom Park, David E. Kim, Frank DiMaio, David P. Baker, "Protein structure prediction using Rosetta in CASP12.," Proteins, March 2018,  vol. 1, NCBI, 2018 , pp. 113-121, . doi: 10.1002/prot.25390 view abstract
Lindsay Bassman, Aravind Krishnamoorthy, Aiichiro Nakano, Rajiv K. Kalia, Hiroyuki Kumazoe, Masaaki Misawa, Fuyuki Shimojo, Priya Vashishta, "Picosecond Electronic and Structural Dynamics in Photo-excited Monolayer MoSe2," MRS Advances, March 2018,  Cambridge Core, 2018 . doi: 10.1557/adv.2018.259 view abstract
Xiayue Li, Farren S. Curtis, Timothy Rose, Christoph Schober, Alvaro Vazquez-Mayagoitia, Karsten Reuter, Harald Oberhofer, Noa Marom, "Genarris: Random Generation of Molecular Crystal Structures and Fast Screening with a Harris Approximation," J. Chem. Phys., March 2018,  AIP , 2018 . doi: 10.1063/1.5014038 view abstract
F. Raimondi, G. Hupin, P. Navrátil and S. Quaglioni, "7Li(d,p)8Li transfer reaction in the NCSM/RGM approach,"  Journal of Physics: Conference Series, March 2018,  IOP Publishing Ltd, 2018 . doi: 10.1088/1742-6596/981/1/012006 view abstract
William Dawson, François Gygi, " Equilibration and analysis of first-principles molecular dynamics simulations of water," The Journal of Chemical Physics, March 2018,  vol. 148, no. 124501, AIP, 2018 . doi: 10.1063/1.5018116 view abstract
JifuTan, Talid R.Sinno, Scott L. Diamond, "A parallel fluid–solid coupling model using LAMMPS and Palabos based on the immersed boundary method," Journal of Computational Science, March 2018,  vol. 25, Elsevier, 2018 , pp. 89-100, . doi: 10.1016/j.jocs.2018.02.006 view abstract
James C. Osborn, Xiao-Yong Jin, "A staggered eigensolver based on sparse matrix bidiagonalization," 35th International Symposium on Lattice Field Theory, March 2018,  EPJ, 2018 . doi: 10.1051/epjconf/201817509011 view abstract
Myoungkyu Lee, Robert D. Moser, "Extreme-scale motions in turbulent plane Couette flows," Journal of Fluid Mechanics, March 2018,  vol. 842, Cambridge University Press, 2018 . doi: 10.1017/jfm.2018.131 view abstract
Sidharth Kumar, Alan Humphrey, Will Usher, Steve Petruzza, Brad Peterson, John A. Schmidt, Derek Harris, Ben Isaac, Jeremy Thornock, Todd Harman, Valerio Pascucci, Martin Berzins, "Scalable Data Management of the Uintah Simulation Framework for Next-Generation Engineering Problems with Radiation," Supercomputing Frontiers, March 2018,  Research Gate, 2018 , pp. 219-240, . doi: 10.1007/978-3-319-69953-0_13 view abstract
Jana N. Guenther, Szabolcs Borsányi, Zoltan Fodor, Sandor D. Katz, Attila Pásztor, Claudia Ratti, "Fluctuations of conserved charges from imaginary chemical potential," EPJ Web Conference, March 2018,  no. 07036, ECP Sciences, 2018 . doi: 10.1051/epjconf/201817507036 view abstract
Z. Bai, N. H. Christ, C. T. Sachrajda, "The KL - KS Mass Difference," EPJ Web Conf. , March 2018,  EDP Sciences, 2018 . doi: 10.1051/epjconf/201817513017 view abstract
Bruno G. Nicolau, Aaron Petronico, Kendra Letchworth‐Weaver, Yasaman Ghadar, Richard T. Haasch, Julio A. N. T. Soares, Ryan T. Rooney, Maria K. Y. Chan, Andrew A. Gewirth, Ralph G. Nuzzo, "Controlling Interfacial Properties of Lithium‐Ion Battery Cathodes with Alkylphosphonate Self‐Assembled Monolayers," Advanced Materials Interfaces, March 2018,  vol. 5, no. 10, Wiley Online Library, 2018 , pp. 1701292, . doi: 10.1002/admi.201701292 view abstract
Mohan Chen,Lixin Zheng,Biswajit Santra,Hsin-Yu Ko,Robert A. DiStasio Jr,Michael L. Klein,Roberto Car,Xifan Wu, "Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer," Nature Chemistry, March 2018,  Springer Nature, 2018 . doi: 10.1038/s41557-018-0010-2 view abstract
Mauricio Ponga,Dingyi Sun, "A unified framework for heat and mass transport at the atomic scale," IOP Science, March 2018,  IOP Publishing, 2018 . doi: 10.1088/1361-651x/aaaf94 view abstract
Mohammad Asadi,Baharak Sayahpour,Pedram Abbasi,Anh T. Ngo,Klas Karis,Jacob R. Jokisaari,Cong Liu,Badri Narayanan,Marc Gerard,Poya Yasaei,Xuan Hu,Arijita Mukherjee,Kah Chun Lau,Rajeev S. Assary,Fatemeh Khalili-Araghi,Robert F. Klie,Larry A. Curtiss,Amin Salehi-Khojin, "A lithium-oxygen battery with a long cycle life in an air-like atmosphere," Nature, March 2018,  Springer Nature, 2018 . doi: 10.1038/nature25984 view abstract

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