Papers using Bader Charge Analysis
W. Tang, E. Sanville, and G. Henkelman A grid-based Bader analysis algorithm without lattice bias, J. Phys.: C…Read More
First-principles calculations of magnetic ultrathin films on surfaces
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Coarse grained MD simulation for fracture and reinforcement of polymer materials
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Large-scale device-material research by massively parallel electronic structure calculation and data science
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Nonequilibrium superconductivity emerging from synergistic effects of light and phonons in strongly correlated systems
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Monte Carlo study of Ising model with non-integer effective dimensions
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Development of open-source software HΦ
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Determination of Scattering Length of Bose-Hubbard Model by Quantum Monte Carlo Simulations
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Prediction of properties of organic ferroelectrics and piezoelectrics by first-principles calculation
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First-principels study of anomalous thermoelectric effect on magnetic materials
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