Lv41
428 积分 2025-10-24 加入
Accurate ab initio structure and vibration–rotation dynamics of the beryllium dimer
2小时前
求助中
Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterials
17天前
已完结
Ab initio study of gas phase HClSO2: Building up the molecular complexity of candidate UV-absorbers in Venusian clouds
18天前
已完结
Quaternion Dirac–Coulomb–Breit integral transformation for relativistic four-component correlated electronic structure theory
18天前
已完结
LibERI—A portable and performant multi-GPU accelerated library for electron repulsion integrals via OpenMP offloading and standard language parallelism
21天前
已完结
Rovibrational spectroscopy of 1,4-dioxane in the mid-infrared range from high resolution jet-cooled and long path cell measurements
23天前
已完结
New features of BDF since 2020
1个月前
已关闭
Faster Self-Consistent Field (SCF) Calculations on GPU Clusters
3个月前
已完结
ByteQC: GPU‐Accelerated Quantum Chemistry Package for Large‐Scale Systems
3个月前
已完结
Enhancing GPU‐Acceleration in the Python‐Based Simulations of Chemistry Frameworks
3个月前
已完结
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