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Farren Curtis, Xiayue Li, Timothy Rose, Álvaro Vázquez-Mayagoitia, Saswata Bhattacharya, Luca M. Ghiringhelli, Noa Marom, "GAtor: A First-Principles Genetic Algorithm for Molecular Crystal Structure Prediction," Journal of Chemical Theory and Computation, September 2018,  ACM Publications, 2018 . doi: 10.1021/acs.jctc.8b01037 view abstract
Huihuo Zheng, Hitesh J. Changlani, Kiel T. Williams, Brian Busemeyer and Lucas K. Wagner, "From Real Materials to Model Hamiltonians With Density Matrix Downfolding," Frontiers in Physics, May 2018,  vol. 6, Frontiers Media SA, 2018 . doi: 10.3389/fphy.2018.00043 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
Ali Shahbazi, Jeffery Kinnison, Rafael Vescovi, Ming Du, Robert Hill, Maximilian Joesch, Marc Takeno, Hongkui Zeng, Nuno Maçarico da Costa, Jaime Grutzendler, Narayanan Kasthuri, Walter J. Scheirer, "Flexible Learning-Free Segmentation and Reconstruction of Neural Volumes," Scientific Reports, November 2018,  vol. 8, no. 14247, Springer Nature Publishing AG, 2018 . doi: 10.1038/s41598-018-32628-3 view abstract
Alex P. Gaiduk, Jeffrey Gustafson, François Gygi, Giulia Galli, "First-Principles Simulations of Liquid Water Using a Dielectric-Dependent Hybrid Functional," The Journal of Physical Chemistry Letters, May 2018,  vol. 9, no. 11, American Chemical Society (ACS), 2018 , pp. 3068–3073, . doi: 10.1021/acs.jpclett.8b01017 view abstract
E. O. Fetisov, M. S. Shah, J. R. Long, M. Tsapatsis, and J. I. Siepmann, "First principles Monte Carlo simulations of unary and binary adsorption: CO2, N2, and H2O in Mg-MOF-74," Chemical Communications, August 2018,  no. 77, 2018 . doi: 10.1039/C8CC06178E view abstract
S. Binder, A. Calci, E. Epelbaum, R.J. Furnstahl, J. Golak, K. Hebeler, T. Huether, H. Kamada, H. Krebs, S. Liebig, P. Maris, U-G. Meissner, A. Nogga, R. Roth, R. Skibinski, K. Topolnicki, J.P. Vary, K. Vobig and H. Witala, "Few- and many-nucleon systems with semilocal coordinate-space regularized chiral nucleon-nucleon forces," PHYSICAL REVIEW C, July 2018,  vol. 98, no. 1, APS Physics, 2018 , pp. na, . doi: 10.1103 view abstract
D. Regnier, N. Dubray, M. Verrière, N. Schunck, "FELIX-2.0: New version of the finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation," ScienceDirect, April 2018,  vol. Volume 225, ScienceDirect, 2018 , pp. 180-191, . doi: 10.1016/j.cpc.2017.12.007 view abstract
Junhao Li, Matthew Otten, Adam A. Holmes, Sandeep Sharma, C. J. Umrigar, "Fast Semistochastic Heat-Bath Configuration Interaction," The Journal of Chemical Physics, December 2018,  vol. 149, no. 21, AIP Publishing, 2018 . doi: 10.1063/1.5055390 view abstract
Rajak, P., Kalia, R. K., Nakano, A., & Vashishta, P., "Faceting, Grain Growth, and Crack Healing in Alumina," ACS Nano, August 2018,  vol. 12, no. 9, 2018 , pp. 9005–9010, . doi: 10.1021/acsnano.8b02484 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
Z. Fodor, K. Holland, J. Kuti, D. Nogradi, and C.H. Wong, "Extended investigation of the twelve-flavor β-function," Physics Letters B, April 2018,  Elsevier B.V., 2018 . doi: 10.1016/j.physletb.2018.02.008 view abstract
Yongliang Shi, Boao Song, Reza Shahbazian-Yassar, Jin Zhao, Wissam A. Saidi, "Experimentally Validated Structures of Supported Metal Nanoclusters on MoS2," The Journal of Physical Chemistry Letters, May 2018,  vol. 9, no. 11, ACS Publications, 2018 , pp. 2972-2978, . doi: 10.1021/acs.jpclett.8b01233 view abstract
F. Curtis, T. Rose, and N. Marom, "Evolutionary Niching in the GAtor Genetic Algorithm for Molecular Crystal Structure Prediction," Faraday Discussions, April 2018,  vol. 211, 2018 , pp. 61-77, . doi: 10.1039/C8FD00067K
D. T. Tran, H. J. Ong, T. Yamamoto , "Evidence for prevalent Z = 6 magic number in neutron-rich carbon isotopes," Nature Communications, October 2018,  vol. 9, no. 1594, Springer Nature, 2018 view abstract
Kuo-Chuan Pan, Matthias Liebendörfer, Sean M. Couch, Friedrich-Karl Thielemann, "Equation of State Dependent Dynamics and Multi-messenger Signals from Stellar-mass Black Hole Formation," The Astrophysical Journal, April 2018,  vol. 857, no. 13, IOP Science, 2018 . doi: 10.3847/1538-4357/aab71d view abstract
Donghyuk Suh, Brian Radak, Christophe Chipot, Benoit Roux., "Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics–Monte Carlo propagator," The Journal of Chemical Physics, January 2018,  vol. 148, no. 1, AIP, 2018 . doi: 10.1063/1.5004154 view abstract
Yue Jiang, Sili Deng, Sungwook Hong, Jiheng Zhao , Sidi Huang, Chi-Chin Wu, Jennifer L. Gottfried, Ken-ichi Nomura, Ying Li, Subodh Tiwari, Rajiv K. Kalia, Priya Vashishta, Aiichiro Nakano, Xiaolin Zheng, "Energetic Performance of Optically Activated Aluminum/Graphene Oxide Composites," ACS Nano, October 2018,  vol. 12, no. 11, ACS, 2018 , pp. 11366-11375, . doi: 10.1021/acsnano.8b06217 view abstract
V. W. Yu, F. Corsetti, A. Garcia, W. P. Huhn, M. Jacquelin, W. Jia, B. Lange, L. Lin, J. Lu, W. Mi, A. Seifitokaldani, A. Vazquez-Mayagoitia, C. Yang, H. Yang, V. Blum, "ELSI: A unified software interface for Kohn–Sham electronic structure solvers," Computer Physics Communications, January 2018,  vol. 222, 2018 , pp. 267-285, . doi: 10.1016/j.cpc.2017.09.007 view abstract
Nils E. R. Zimmermann, Daniel C. Hannah, Ziqin Rong, Miao Liu, Gerbrand Ceder, Maciej Haranczyk, Kristin A. Persson, "Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion Models," The Journal of Physical Chemistry Letters, January 2018,  vol. 9, no. 3, American Chemical Society (ACS), 2018 , pp. 628–634, . doi: 10.1021/acs.jpclett.7b03199 view abstract