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426 积分 2025-10-24 加入
ByteQC: GPU‐Accelerated Quantum Chemistry Package for Large‐Scale Systems
15天前
已完结
Enhancing GPU‐Acceleration in the Python‐Based Simulations of Chemistry Frameworks
22天前
已完结
Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applications
23天前
已完结
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures
26天前
已完结
Faster Self-Consistent Field (SCF) Calculations on GPU Clusters
26天前
已完结
Toward an extreme-scale electronic structure system
26天前
已完结
Quantum Mechanics/Molecular Mechanics Simulations on NVIDIA and AMD Graphics Processing Units
26天前
已完结
Noncollinear Spin-Flip TDDFT for Potential Energy Surface Crossings: Conical Intersections and Spin Crossings
1个月前
已完结
Analytic Gradient for Spin-Flip TDDFT Using Noncollinear Functionals in the Multicollinear Approach
1个月前
已完结
Noncollinear and Spin-Flip TDDFT in Multicollinear Approach
1个月前
已完结
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