Concepedia
Journal of Environmental Management · 2023 · 17 citations · 51 references
EngineeringEnvironmental EngineeringSoil ChemistryAdsorption At InterfacesAdsorptive SeparationsBiochar ProductionNitrogen RemovalBiochar AdsorptionBiochar AmendmentsBiochar MaterialsBiochar SorbentsBiochar-based RemediationNitrogen-doped CarbonSpecific Adsorption
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A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations
Natural Sciences, Chemistry, Physics +14
<i>VESTA 3</i> for three-dimensional visualization of crystal, volumetric and morphology data
Koichi Momma, Fujio Izumi · Journal of Applied Crystallography · 2011 · 25.2K citations
Computing, Visualization, Crystal Structure +10
VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code
Vei Wang, Nan Xu, Jincheng Liu et al. · Computer Physics Communications · 2021 · 7.3K citations · Full text
Computing, Computer Science, High-performance Computing +5
<i>Ab‐initio</i>simulations of materials using VASP: Density‐functional theory and beyond
Jürgen Häfner · Journal of Computational Chemistry · 2008 · 4.9K citations
Natural Sciences, Materials Science, Physics +17
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
Jussi Enkovaara, C. Rostgaard, J. J. Mortensen et al. · Journal of Physics Condensed Matter · 2010 · 2.3K citations
Natural Sciences, Materials Science, Physics +12