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State-of-the-art of computing hardware for molecular modelling: a benchmark and its results
Affiliation:1. Artie McFerrin Department of Chemical Engineering, Texas A& M University, College Station, TX 77845, USA;2. Texas A&M Energy Institute, Texas A&M University, College Station, TX 77845, USA;1. State Key Laboratory of Hydroscience and Engineering, Department of Hydraulic Engineering, Tsinghua University, Beijing 100084, China;2. Research Center on Flood and Drought Disaster Reduction, China Institute of Water Resources and Hydropower Research, Beijing 100038, China;3. Department of Atmospheric Science, China University of Geosciences, Wuhan 430074, China;4. Centre for Agricultural Water Research in China, China Agricultural University, Beijing 100083, China;1. Department of Physics, College of Science Yadegar-e-Imam Khomeini (RAH) Shahre-rey Branch, Islamic Azad University, Tehran, Iran;2. Department of Physics, University of Guilan, 41335-1914 Rasht, Iran;1. CAS Key Laboratory of Nuclear Materials and Safety Assessment, Institute of Metal Research, Chinese Academy of Sciences, 62 Wencui Road, Shenyang 110016, PR China;2. School of Materials Science and Engineering, University of Science and Technology of China, Shenyang 110016, PR China;3. Hefei General Machinery Research Institute, Hefei 230031, PR China;1. Servicios y Asesorías en Infectología (SAI), Bogotá, Colombia;2. Tropical and Infectious Diseases Group (GETI), Hospital Militar Central, Universidad Militar Nueva Granada, Bogotá, Colombia;3. Medicine school, Universidad Militar Nueva Granada, Bogotá, Colombia;4. Dermatology Department, Hospital Militar Central, Bogotá, Colombia;5. Internal Medicine department, Hospital Militar Central, Bogotá, Colombia;1. Key Laboratory of Engineering Plastics and Beijing National Laboratory for Molecular Science, Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100190, China;2. CAS Research/Education Center for Excellence in Molecular Sciences, University of Chinese Academy of Sciences, Beijing, 100049, China;3. Department of Chemistry, University of Leicester, University Road, Leicester, LE1 7RH, UK;4. State Key Laboratory for Oxo Synthesis and Selective Oxidation, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou, 730000, China
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