Lv4
416 积分 2025-10-24 加入
Faster Self-Consistent Field (SCF) Calculations on GPU Clusters
1个月前
已完结
ByteQC: GPU‐Accelerated Quantum Chemistry Package for Large‐Scale Systems
2个月前
已完结
Enhancing GPU‐Acceleration in the Python‐Based Simulations of Chemistry Frameworks
2个月前
已完结
Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applications
2个月前
已完结
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures
2个月前
已完结
Faster Self-Consistent Field (SCF) Calculations on GPU Clusters
2个月前
已完结
Toward an extreme-scale electronic structure system
2个月前
已完结
Quantum Mechanics/Molecular Mechanics Simulations on NVIDIA and AMD Graphics Processing Units
2个月前
已完结
Noncollinear Spin-Flip TDDFT for Potential Energy Surface Crossings: Conical Intersections and Spin Crossings
2个月前
已完结
Analytic Gradient for Spin-Flip TDDFT Using Noncollinear Functionals in the Multicollinear Approach
2个月前
已完结
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