日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Advancing nonadiabatic molecular dynamics simulations in solids with E(3) equivariant deep neural hamiltonians

利用 E(3) 等变深度神经哈密顿量推进固体中的非绝热分子动力学模拟

Zhang, Changwei; Zhong, Yang; Tao, Zhi-Guo; Qin, Xinming; Shang, Honghui; Lan, Zhenggang; Prezhdo, Oleg V; Gong, Xin-Gao; Chu, Weibin; Xiang, Hongjun

Calreticulin in the nasal mucus promotes neutrophil migration and pathogen clearance.

鼻黏液中的钙网蛋白可促进中性粒细胞迁移和病原体清除

Ma Yichao, Qin Xinming, Liu Shiqi, Lin Ruoyang, Meng Baoyan, Lin Jian, Yang Qian

Identification of a Novel Antibacterial Function of Mammalian Calreticulin.

哺乳动物钙网蛋白新型抗菌功能的鉴定

Ma Yichao, Liu Jiachen, Qin Xinming, Cui Xiaojing, Yang Qian

Galectin-3: a novel antimicrobial host factor identified in goat nasal mucus.

半乳糖凝集素-3:在山羊鼻粘液中发现的一种新型抗菌宿主因子

Ma Yichao, Qin Xinming, Liu Jiachen, Liu Shiqi, Lin Ruoyang, Meng Baoyan, Cui Xiaojing, Yang Qian

Efficient implementation of analytical gradients for periodic hybrid functional calculations within fitted numerical atomic orbitals from NAO2GTO

高效实现 NAO2GTO 中拟合数值原子轨道内周期性混合泛函计算的解析梯度

Qin, Xinming; Shang, Honghui; Yang, Jinlong

Parallel Implementation of Large-Scale Linear Scaling Density Functional Theory Calculations With Numerical Atomic Orbitals in HONPAS

在 HONPAS 中并行实现大规模线性标度密度泛函理论计算与数值原子轨道

Luo, Zhaolong; Qin, Xinming; Wan, Lingyun; Hu, Wei; Yang, Jinlong