Showing 1–20 of 83 results
/ Date/ Name
Jul 9, 2018Topological states in A15 superconductorsMar 2, 2019Topological band gap in intercalated epitaxial grapheneMar 1, 2024La$_4$Co$_4$X (X = Pb, Bi, Sb): a demonstration of antagonistic pairs as a route to quasi-low dimensional ternary compoundsSep 19, 2023Prediction of superconductivity in metallic boron-carbon compounds from 0 to 100 GPa by high-throughput screeningJan 26, 2023Imaging Stacking-Dependent Surface Plasmon Polaritons in Trilayer GrapheneMar 19, 2011Vibrational modes and lattice distortion of a nitrogen-vacancy center in diamond from first-principles calculationsMar 9, 2020Gutzwiller Hybrid Quantum-Classical Computing Approach for Correlated MaterialsApr 15, 2021Unconventional iron-magnesium compounds at terapascal pressuresFeb 23, 2018Using first-principles calculations to screen for fragile magnetism: Case study of LaCrGe3 and LaCrSb3Apr 14, 2017Structures, phase transitions, and magnetic properties of Co3Si from first-principles calculationsJun 27, 2020Efficient step-merged quantum imaginary time evolution algorithm for quantum chemistryAug 13, 2024Adaptive variational quantum dynamics simulations with compressed circuits and fewer measurementsOct 2, 2025Ab initio calculation of atomic solid hydrogen phases based on Gutzwiller many-body wave functionsOct 1, 2025exa-AMD: An Exascale-Ready Framework for Accelerating the Discovery and Design of Functional MaterialsOct 1, 2025exaPD: A highly parallelizable workflow for multi-element phase diagram (PD) constructionNov 2, 2021Structure and motifs of iron oxides from 1 to 3 TPaFeb 2, 2021Adaptive Variational Quantum Imaginary Time Evolution Approach for Ground State PreparationFeb 23, 2019Competitive B2 and B33 Nucleation during Solidification of Ni50Zr50 Alloy: Molecular Dynamics Simulation and Classical Nucleation TheoryAug 8, 2023Unveiling the effect of Ni on the formation and structure of Earth's inner coreOct 21, 2022Benchmarks and results of the two-band Hubbard model from the Gutzwiller conjugate gradient minimization theory