Lv12
60 积分 2023-10-13 加入
Machine Learning Accelerates Precise Excited-State Potential Energy Surface Calculations on a Quantum Computer
2小时前
待确认
Exploring Accurate Potential Energy Surfaces via Integrating Variational Quantum Eigensolver with Machine Learning
2小时前
待确认
Discovery of Copolymer Resins with Optimal Viscosity–Toughness–Heat Resistance Trade-Offs via the Material Genome Approach
7天前
已完结
Design of Multicomponent Thermosetting Polymers with Enhanced Tensile Properties through Active Learning
8天前
已完结
Reinforcement Learning-Based Fed-Batch Optimization with Reaction Surrogate Model
9天前
已完结
Data-driven federated learning in drug discovery with knowledge distillation
13天前
已完结
Computationally Efficient Polarizable MD Simulations: A Simple Water Model for the Classical Drude Oscillator Polarizable Force Field
15天前
已完结
Revised 4-Point Water Model for the Classical Drude Oscillator Polarizable Force Field: SWM4-HLJ
15天前
已完结
The study of the optical phonon frequency of 3C-SiC by molecular dynamics simulations with deep neural network potential
16天前
已完结
A New Fluorinated Polysiloxane with Good Optical Properties and Low Dielectric Constant at High Frequency Based on Easily Available Tetraethoxysilane (TEOS)
17天前
已完结
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