Efficient Step-Merged Quantum Imaginary Time Evolution Algorithm for Quantum Chemistry

Niladri Gomes, Feng Zhang, Noah Berthusen, +4

Journal of Chemical Theory and Computation

Overcoming the Time Limitation in Molecular Dynamics Simulation of Crystal Nucleation: A Persistent-Embryo Approach

Yang Sun, Huajing Song, Feng Zhang, +5

Physical Review Letters

Predicting Complex Relaxation Processes in Metallic Glass

Yang Sun, Si‐Xu Peng, Qun Yang, +5

Physical Review Letters

Fundamental Link between β Relaxation, Excess Wings, and Cage-Breaking in Metallic Glasses

Hai‐Bin Yu, M. H. Yang, Yang Sun, +6

The Journal of Physical Chemistry Letters

Materials ScienceRelaxation ProcessMolecular DynamicsEngineeringPhysics +13

Cooling rate dependence of structural order in Al90Sm10 metallic glass

Yang Sun, Yue Zhang, Feng Zhang, +4

Journal of Applied Physics

Materials ScienceMaterials EngineeringShort-range OrderMolecular DynamicsEngineering +13

Adaptive variational quantum eigensolvers for highly excited states

Feng Zhang, Niladri Gomes, Yongxin Yao, +2

Physical review. B./Physical review. B

Total EnergyQuantum DynamicLocalized Excited StateEngineeringMany-body Quantum Physic +14

Composition-dependent stability of the medium-range order responsible for metallic glass formation

Feng Zhang, Min Ji, Xiaowei Fang, +6

Acta Materialia

Materials ScienceComposition-dependent StabilityGlass-ceramicEngineeringGlass-forming Liquid +5

From NaZn₄Sb₃ to <i>HT</i>-Na_1–<i>x</i>Zn_4–<i>y</i>Sb₃: Panoramic Hydride Synthesis, Structural Diversity, and Thermoelectric Properties

Volodymyr Gvozdetskyi, Bryan Owens‐Baird, Sangki Hong, +8

Chemistry of Materials

EngineeringSolid-state ChemistryChemistryInorganic MaterialStructural Disorder +16

Temperature dependence of the solid-liquid interface free energy of Ni and Al from molecular dynamics simulation of nucleation

Yang Sun, Feng Zhang, Huajing Song, +3

The Journal of Chemical Physics

Third time's the charm: intricate non-centrosymmetric polymorphism in <i>Ln</i>SiP₃ (<i>Ln</i> = La and Ce) induced by distortions of phosphorus square layers

Georgiy Akopov, Justin Mark, Gayatri Viswanathan, +13

Dalton Transactions