Publications

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Mathew J. Cherukara, Youssef S. G. Nashed, Ross J. Harder, "Real-Time Coherent Diffraction Inversion Using Deep Generative Networks," Scientific Reports, November 2018,  vol. 8, no. 16520, Springer Nature America, Inc, 2018 . doi: 10.1038/s41598-018-34525-1 view abstract
Robert A. DiStasio, Ge Zhang, Frank H. Stillinger, Salvatore Torquato, "Rational Design of Stealthy Hyperuniform Two-Phase Media with Tunable Order," Research Gate, February 2018,  American Physical Society (APS), 2018 . doi: 10.1103/physreve.97.023311 view abstract
William Allcock, Bennett Bernardoni, Colleen Bertoni, Neil Getty, Joseph Insley, Michael E. Papka, Silvio Rizzi, Brian Toonen, "Ram as a Network Managed Resource," 2018 IEEE International Parallel and Distributed Processing Symposium, August 2018,  Vancouver, BC, Canada , IEEE, 2018 , pp. 99-106, . doi: 10.1109/ipdpsw.2018.00024 view abstract
R.J. Hunt, M. Szyniszewski, G.I. Prayogo, R. Maezono, N.D. Drummond, "Quantum Monte Carlo calculations of energy gaps from first principles," Physical Review B, August 2018,  vol. 98, no. 075122, APS, 2018 . doi: 10.1103/PhysRevB.98.075122 view abstract
Anouar Benali, Ye Luo, Hyeondeok Shin, Dale Pahls, Olle Heinonen , "Quantum Monte Carlo Calculations of Catalytic Energy Barriers in a Metallorganic Framework with Transition-Metal-Functionalized Nodes," The Journal of Physical Chemistry C, June 2018,  vol. 122, no. 29, ACS Publications, 2018 , pp. 16683-16691, . doi: 10.1021/acs.jpcc.8b02368 view abstract
A. Lovato, S. Gandolfi, J. Carlson, Ewing Lusk, Steven C. Pieper, R. Schiavilla, "Quantum Monte Carlo calculation of neutral-current ν−12C inclusive quasielastic scattering," Physical Review C, February 2018,  vol. 97, no. 022502, American Physical Society, 2018 . doi: 10.1103/PhysRevC.97.022502 view abstract
Hung-Yu Chang, Alireza Yazdani, Xuejin Li, Konstantinos A.A. Douglas, Christos S. Mantzoros, George Em Karniadakis, "Quantifying Platelet Margination in Diabetic Blood Flow," Biophysical Journal, October 2018,  Elsevier B.V., 2018 . doi: 10.1016/j.bpj.2018.08.031 view abstract
Jeongnim Kim, Andrew D Baczewski, Todd D Beaudet, Anouar Benali, M Chandler Bennett, Mark A Berrill, Nick S Blunt, Edgar Josue Landinez Borda, Michele Casula, David M Ceperley, Simone Chiesa, Bryan K Clark, Raymond C Clay III, Kris T Delaney, Mark Dewing, Kenneth P Esler, Hongxia Hao, Olle Heinonen, Paul R C Kent, Jaron T Krogel, Ilkka Kylanpaa, Ying Wai Li, M Graham Lopez, Ye Luo, Fionn D Malone, Richard M Martin, Amrita Mathuriya, Jeremy McMinis, Cody A Melton, Lubos Mitas, Miguel A Morales, Eric Neuscamman, William D Parker, Sergio D Pineda Flores, Nichols A Romero, Brenda M Rubenstein, Jacqueline A R Shea, Hyeondeok Shin, Luke Shulenburger, Andreas F Tillack, Joshua P Townsend, Norm M Tubman, Brett Van Der Goetz, Jordan E Vincent, D ChangMo Yang, Yubo Yang, Shuai Zhang and Luning Zhao, "QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids,"  Journal of Physics: Condensed Matter, April 2018,  IOP Publishing, 2018 . doi: 10.1088/1361-648X/aab9c3/meta view abstract
Patrick Steinbrecher, "QCD transition at zero and non-zero baryon densities," The International Conference on Ultrarelativistic Nucleus-Nucleus Collisions, May 2018,  Italy, The International Conference on Ultrarelativistic Nucleus-Nucleus Collisions, 2018 view abstract
Maximilian Scheurer,Peter Rodenkirch,Marc Siggel,Rafael C. Bernardi,Klaus Schulten,Emad Tajkhorshid,Till Rudack, "PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations," NCBI, February 2018,  Elsevier BV, 2018 , pp. 577-583, . doi: 10.1016/j.bpj.2017.12.003 view abstract
Yexin Feng, Yicheng Zhao, Wen-Ke Zhou, Qi Li, Wissam A. Saidi, Qing Zhao, and Xin-Zheng Li, "Proton Migration in Hybrid Lead Iodide Perovskites: From Classical Hopping to Deep Quantum Tunneling," The Journal of Physical Chemistry Letters, October 2018,  ACS Publications, 2018 . doi: 10.1021/acs.jpclett.8b02929 view abstract
Huan Rui, Avisek Das, Robert Nakamoto, Benoît Roux, "Proton Countertransport and Coupled Gating in the Sarcoplasmic Reticulum Calcium Pump," Journal of Molecular Biology, December 2018,  vol. 430, no. 24, ELSEVIER, 2018 , pp. 5050-5065, . doi: 10.1016/j.jmb.2018.10.014 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
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
Zibo Chen, Scott E. Boyken, Mengxuan Jia, Florian Busch, David Flores-Solis, Matthew J. Bick, Peilong Lu, Zachary L. VanAernum, Aniruddha Sahasrabuddhe, Robert A. Langan, Sherry Bermeo, T. J. Brunette, Vikram Khipple Mulligan, Lauren P. Carter, Frank DiMaio, Nikolaos G. Sgourakis, Vicki H. Wysocki, David Baker, "Programmable design of orthogonal protein heterodimers," Nature International Journal of Science, December 2018,  vol. 565, Springer Nature, 2018 , pp. 106-111, . doi: 10.1038/s41586-018-0802-y view abstract
Zibo Chen, Scott E. Boyken, Mengxuan Jia, Florian Busch, David Flores-Solis, Matthew J. Bick, Peilong Lu, Zachary L. VanAernum, Aniruddha Sahasrabuddhe, Robert A. Langan, Sherry Bermeo, T. J. Brunette, Vikram Khipple Mulligan, Lauren P. Carter, Frank DiMaio, Nikolaos G. Sgourakis, Vicki H. Wysocki, David Baker, "Programmable design of orthogonal protein heterodimers," Nature, December 2018,  Springer Nature Publishing AG, 2018 . doi: 10.1038/s41586-018-0802-y view abstract
Xia F, Shukla M, Brettin T, Garcia-Cardona C, Cohn J, Allen JE, Maslov S, Holbeck SL, Doroshow JH, Evrard YA, Stahlberg EA, Stevens RL, "Predicting tumor cell line response to drug pairs with deep learning," BMC Bioinformatics, December 2018,  vol. 19, no. 8, Springer Nature, 2018 , pp. 486, . doi: 10.1186/s12859-018-2509-3 view abstract
Li Xu,Ryan Gordon,Rebecca Farmer,Abhinandan Pattanayak,Andrew Binkowski,Xiaoke Huang,Michael Avram,Sankar Krishna,Eric Voll,Janet Pavese,Juan Chavez,James Bruce,Andrew Mazar,Antoinette Nibbs,Wayne Anderson,Lin Li,Borko Jovanovic,Sean Pruell,Matias Valsecchi,Giulio Francia,Rick Betori,Karl Scheidt,Raymond Bergan, "Precision Therapeutic Targeting of Human Cancer Cell Motility," Nature Communications, June 2018,  vol. 9, no. 2454, Springer Nature, 2018 . doi: 10.1038/s41467-018-04465-5 view abstract
X. M. Zhai, Susan Kurien, "Precision Therapeutic Targeting of Human Cancer Cell Motility," Nature Communications, June 2018,  vol. 9, no. 2454, Cambridge University Press (CUP), 2018 . doi: 10.1017/jfm.2018.687 view abstract
S. V. Chekanova, J. T. Childersa, J. Proudfoota, R. Wanga, D. Frizzellb , "Precision searches in dijets at the HL-LHC and HE-LHC," Journal of Instrumentation, May 2018,  vol. 13, IOP Publishing, 2018 . doi: 10.1088/1748-0221/13/05/p05022 view abstract

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