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620 积分 2022-02-26 加入
PYATB: An Efficient Python Package for Electronic Structure Calculations Using Ab Initio Tight-Binding Model
10小时前
已完结
Enhancing GPU‐Acceleration in the Python‐Based Simulations of Chemistry Frameworks
11小时前
待确认
Excited-state methods for molecular systems: Performance, pitfalls, and practical guidance
4天前
求助中
Deep Learning Quantum Monte Carlo for Solids
4天前
待确认
Enhancing Molecular Dynamics Simulations of Electrical Double Layers: From Simplified to Realistic Models
4天前
已完结
Enhancing GPU‐Acceleration in the Python‐Based Simulations of Chemistry Frameworks
4天前
已完结
ByteQC: GPU‐Accelerated Quantum Chemistry Package for Large‐Scale Systems
4天前
已完结
Electronic properties and quantitative mapping of magnetic moments of rare-earth hard magnet SmCo5: First principles computations and inelastic scattering
26天前
已完结
Block2: A comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond
27天前
已完结
Boosting hydrogen production of uniform CuCo-ZIF nanododecahedrons by bimetal node and glycerol
28天前
已完结
基于氧化海藻酸钠合成银纳米颗粒的抗植物病原真菌活性研究
3年前
已采纳
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