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222
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12.9K
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Murrysville, United States
Quantum Simulations (United States) is a company institution in Murrysville, United States known for natural sciences, chemistry, and physics.
Top concepts
Natural SciencesChemistryPhysicsMaterials ScienceAb Initio MethodsDensity Functional TheoryComputational ChemistrySurface PhysicsPhysical ChemistrySurface Science
Quantum Simulations (United States), United States
19 publications · 45 citations
4
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1–1 of 1
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
The Journal of Chemical Physics · 2020 · 394 citations · Full text
Natural Sciences, Materials Science, Physics +17
Solvation and Dynamics of Sodium and Potassium in Ethylene Carbonate from ab Initio Molecular Dynamics Simulations
Tuan Anh Pham, Kyoung E. Kweon, Amit Samanta et al. · The Journal of Physical Chemistry C · 2017 · 231 citations · Full text
Natural Sciences, Chemistry, Physics +17
Coupling nitrate capture with ammonia production through bifunctional redox-electrodes
Kwiyong Kim, Alexandra Zagalskaya, Jing Lian Ng et al. · Nature Communications · 2023 · 163 citations · Full text
Engineering, Chemical Engineering, Environmental Engineering +17
First-Principles-Inspired Design Strategies for Graphene-Based Supercapacitor Electrodes
Brandon C. Wood, Tadashi Ogitsu, Minoru Otani et al. · The Journal of Physical Chemistry C · 2013 · 162 citations · Full text
Natural Sciences, Materials Engineering, Materials Science +17
Accurate atomistic first-principles calculations of electronic stopping
André Schleife, Yosuke Kanai, Alfredo A. Correa · Physical Review B · 2015 · 155 citations · Full text
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