Showing 1–20 of 29 results
/ Date/ Name
Jun 25, 2020Random Phase Product Sate for Canonical EnsembleAug 22, 2012First principles molecular dynamics study of filled ice hydrogen hydrateNov 11, 2006Pressure-induced isostructural phase transition of metal-doped silicon clathratesJun 28, 2003Methane Hydrate under High Pressure: Searching for Centering of Hydrogen BondsSep 13, 2012Pressure Induced Ferromagnetism in Cubic Perovskite SrFeO3 and BaFeO3Oct 23, 2009GPU-accelerated large-scale quantum molecular dynamics simulation of 3-dimensional C60 polymersJan 13, 2004Random phase vector for calculating the trace of a large matrixJul 11, 2010Stability of ferroelectric iceDec 5, 2012The ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale molecular magnet V15Aug 31, 2009Large scale simulation of quantum-mechanical molecular dynamics for nano-polycrystalline diamondJul 31, 2007Linear scaling calculation of a n-type GaAs quantum dotOct 22, 2021Giant electro-optic effect in chiral topological semimetal RhSiOct 26, 2024Data-driven design of high-temperature superconductivity among ternary hydrides under pressureMar 8, 1999Non-degenerate Two Photon Absorption Spectra of Si NanocrystallitesMar 18, 2018The impact of Hubbard- and van der Waals-corrections on the DFT calculation of epsilon-zeta transition pressure in solid oxygenJan 21, 2025The Impact of Ionic Anharmonicity on Superconductivity in Metal-Stuffed B-C ClathratesJan 22, 2020Nonlinear optical response from quantum kinetic equationJul 6, 2020Detection of quantum geometric tensor by nonlinear optical responseOct 27, 2015GdN thin-film: Chern Insulating State on Square LatticeMar 1, 2012Superconductive "sodalite"-like clathrate calcium hydride at high pressures