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المؤلفون: Yilun Zhao, Yanan Guo, Yuan Yao, Amanda Dumi, Devin M Mulvey, Shiv Upadhyay, Youtao Zhang, Kenneth D Jordan, Jun Yang, Xulong Tang
المصدر: 2022 IEEE International Symposium on High-Performance Computer Architecture (HPCA).
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::80f8c3552690a03e37f34cb637dbb51e
https://doi.org/10.1109/hpca53966.2022.00059 -
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المؤلفون: Amanda Dumi, Shiv Upadhyay, Leonardo Bernasconi, Hyeondeok Shin, Anouar Benali, Kenneth D. Jordan
مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Physics - Chemical Physics, Physics::Atomic and Molecular Clusters, General Physics and Astronomy, FOS: Physical sciences, Physical and Theoretical Chemistry
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::71f92579fd55dc5589c2210f14623ffe
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المؤلفون: David Punihaole, Craig Van Bruggen, Theresa M. Reineke, Renee R. Frontiera, Riley J. Workman, Shiv Upadhyay, Andrew J. Schmitz
المصدر: The Journal of Physical Chemistry B. 122:9840-9851
مصطلحات موضوعية: Molecular Dynamics Simulation, Spectrum Analysis, Raman, 010402 general chemistry, 01 natural sciences, Article, chemistry.chemical_compound, Molecular dynamics, symbols.namesake, 0103 physical sciences, Chemical specificity, Materials Chemistry, medicine, Physical and Theoretical Chemistry, Quinine, 010304 chemical physics, Hydrogen bond, Quinoline, Hydrogen Bonding, DNA, Hydrogen-Ion Concentration, 0104 chemical sciences, Surfaces, Coatings and Films, chemistry, Stark effect, Chemical physics, symbols, Nucleic Acid Conformation, Quantum Theory, Raman spectroscopy, medicine.drug
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المؤلفون: James Shee, Amanda Dumi, Kenneth D. Jordan, Shiv Upadhyay
المصدر: The Journal of chemical physics. 153(22)
مصطلحات موضوعية: Physics, Chemical Physics (physics.chem-ph), Electron density, 010304 chemical physics, Electronic correlation, Quantum Monte Carlo, General Physics and Astronomy, Charge density, FOS: Physical sciences, 010402 general chemistry, 01 natural sciences, Molecular physics, 0104 chemical sciences, 3. Good health, Coupled cluster, Physics - Chemical Physics, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Diffusion Monte Carlo, Physical and Theoretical Chemistry, Wave function, Basis set
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المؤلفون: Ye Luo, Hongxia Hao, Shiv Upadhyay, Jaron T. Krogel, Guangming Wang, Luning Zhao, Fernando A. Reboredo, Edgar Josué Landinez Borda, Kayahan Saritas, Lubos Mitas, Brenda M. Rubenstein, Cody A. Melton, Joonho Lee, Peter Doak, Miguel A. Morales, Paul R. C. Kent, Shuai Zhang, Kenneth D. Jordan, Fionn D. Malone, Anouar Benali, M. Chandler Bennett, Ilkka Kylänpää, Abdulgani Annaberdiyev, Eric Neuscamman
المساهمون: Tampere University, Physics
المصدر: The Journal of chemical physics, vol 152, iss 17
مصطلحات موضوعية: Computer science, Computation, Quantum Monte Carlo, General Physics and Astronomy, FOS: Physical sciences, Electronic structure, 010402 general chemistry, 01 natural sciences, 114 Physical sciences, Computational science, Engineering, Atomic orbital, 0103 physical sciences, Physical and Theoretical Chemistry, Wave function, Scaling, Chemical Physics, 010304 chemical physics, Computational Physics (physics.comp-ph), 0104 chemical sciences, Range (mathematics), physics.comp-ph, Physical Sciences, Chemical Sciences, Ground state, Physics - Computational Physics
وصف الملف: fulltext; application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::36d7f13f871e61be51786b828d10a34f
http://arxiv.org/abs/2003.01831 -
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المؤلفون: Shiv Upadhyay, Matthew N. Srnec, Jeffrey D. Madura
المصدر: Journal of Chemical Education. 93:2106-2109
مصطلحات موضوعية: Engineering drawing, Computer based learning, Materials science, Chemistry education, Computation, Teaching method, 05 social sciences, 050301 education, Computer-Assisted Instruction, General Chemistry, Python (programming language), 01 natural sciences, 010305 fluids & plasmas, Education, Reciprocal lattice, Mathematical process, 0103 physical sciences, ComputingMilieux_COMPUTERSANDEDUCATION, 0503 education, computer, computer.programming_language
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المؤلفون: Matthew N. Srnec, Jeffry D. Madura, Shiv Upadhyay
المصدر: Journal of Chemical Education. 94:813-815
مصطلحات موضوعية: Physics, Mathematical model, 010405 organic chemistry, Numerical analysis, 05 social sciences, Physical system, 050301 education, General Chemistry, Python (programming language), Morse code, 01 natural sciences, Potential energy, 0104 chemical sciences, Education, law.invention, symbols.namesake, law, symbols, Physical chemistry, Wave function, 0503 education, computer, Schrödinger's cat, computer.programming_language
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المؤلفون: Can Ataca, James Shee, Brenda M. Rubenstein, Hongxia Hao, Shiv Upadhyay, Kenneth D. Jordan
مصطلحات موضوعية: Physics, Chemical Physics (physics.chem-ph), Condensed Matter - Materials Science, 010304 chemical physics, Quantum Monte Carlo, Binding energy, Charge density, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Electron, 01 natural sciences, Molecular physics, Dipole, Atomic orbital, Physics - Chemical Physics, 0103 physical sciences, Wavenumber, Molecule, General Materials Science, Physical and Theoretical Chemistry, 010306 general physics
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5cbec12541f01992fe12bd68858db6b3