Zhichen Pu

1. Enhancing GPU-acceleration in the Python-based Simulations of Chemistry Framework
   2024/04/15 by Xiaojie Wu, Qiming Sun, Wu, Xiaojie +25 · 10 citations
   Computer Science · Engineering · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Innovative Microfluidic and Catalytic Techniques Innovation #Machine Learning in Materials Science #Parallel Computing and Optimization Techniques #Quantum Physics (quant-ph)
2. Towards A Transferable Acceleration Method for Density Functional Theory
   2025/09/30 by Zhe Liu, Yuyan Ni, Liu, Zhe +9 · 2 citations
   Engineering · #Artificial Intelligence (cs.AI) #Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Phase Equilibria and Thermodynamics
3. Enhancing PySCF-based Quantum Chemistry Simulations with Modern Hardware, Algorithms, and Python Tools
   2025/06/07 by Zhichen Pu, Qiming Sun, Pu, Zhichen +1 · 3 citations
   Materials Science · Computer Science · Biochemistry, Genetics and Molecular Biology · #Machine Learning in Materials Science #Parallel Computing and Optimization Techniques #Protein Structure and Dynamics