Pei‐Lin Kang - Publications, H-index & Citations

Pei‐Lin Kang

istituto italiano di tecnologia

14H指数

23论文数

1.1K被引数

收录论文 13

发表时间

Enzyme Reset: Water-Mediated Tautomerization Restores the Catalytic Asparagine in Protein O-Fucosyltransferase 1 酶重置：水介导的互变异构作用恢复了蛋白质O-岩藻糖基转移酶1的催化天冬酰胺

Journal of Chemical Information and Modeling

IF5.3

2026-04-10

OAAI

Òscar Vidal-Gironès; Enrico Trizio; Peilin Kang; Michele Parrinello; José Pablo Rivas-Fernández; Carme Rovira

Everything everywhere all at once: a probability-based enhanced sampling approach to rare events 无处不在的一切: 基于概率的稀有事件增强抽样方法

Nature Computational Science

IF18.3

2025-05-05

OAAI

Enrico Trizio; Peilin Kang; Michele Parrinello

Many-Body Function Corrected Neural Network with Atomic Attention (MBNN-att) for Molecular Property Prediction

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-07-22

PREAI

Yang, Zheng-Xin; Xie, Xin-Tian; Kang, Pei-Lin; Wang, Zhen-Xiong; Shang, Cheng; Liu, Zhi-Pan

Computing the committor with the committor to study the transition state ensemble 用提交者计算提交者以研究过渡状态集合

NATURE COMPUTATIONAL SCIENCE

IF18.3

2024-06-05

PREAI

Kang, Peilin; Trizio, Enrico; Parrinello, Michele

Global Neural Network Potential with Explicit Many-Body Functions for Improved Descriptions of Complex Potential Energy Surface

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-10-19

PREAI

Kang, Pei-Lin; Yang, Zheng-Xin; Shang, Cheng; Liu, Zhi-Pan

Machine Learning for Chemistry: Basics and Applications 化学机器学习: 基础与应用

ENGINEERING

IF11.6

2023-08-01

OAAI

Shi, Yun-Fei; Yang, Zheng-Xin; Ma, Sicong; Kang, Pei-Lin; Shang, Cheng; Hu, P.; Liu, Zhi-Pan

Methanol Synthesis from CO2/CO Mixture on Cu-Zn Catalysts from Microkinetics-Guided Machine Learning Pathway Search 从微动力学引导的机器学习路径搜索在cu-zn催化剂上从CO2/CO混合物合成甲醇

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2022-07-18

PREAI

Shi, Yun-Fei; Kang, Pei-Lin; Shang, Cheng; Liu, Zhi-Pan

Artificial intelligence pathway search to resolve catalytic glycerol hydrogenolysis selectivity

CHEMICAL SCIENCE

IF7.4

2022-01-01

OAAI

Kang, Pei-Lin; Shi, Yun-Fei; Shang, Cheng; Liu, Zhi-Pan

Active Site of Catalytic Ethene Epoxidation: Machine-Learning Global Pathway Sampling Rules Out the Metal Sites

ACS CATALYSIS

IF13.1

2021-06-23

PREAI

Chen, Dongxiao; Kang, Pei-Lin; Liu, Zhi-Pan

Large-Scale Atomic Simulation via Machine Learning Potentials Constructed by Global Potential Energy Surface Exploration 通过全球势能表面探索构建的机器学习势进行大规模原子模拟

ACCOUNTS OF CHEMICAL RESEARCH

IF17.7

2020-09-17

PREAI

Kang, Pei-Lin; Shang, Cheng; Liu, Zhi-Pan

Glucose to 5-Hydroxymethylfurfural: Origin of Site-Selectivity Resolved by Machine Learning Based Reaction Sampling

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2019-12-04

PREAI

Kang, Pei-Lin; Shang, Cheng; Liuo, Zhi-Pan

LASP: Fast global potential energy surface exploration LASP: 快速全球势能面勘探

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE

IF27

2019-03-10

175

PREAI

Huang, Si-Da; Shang, Cheng; Kang, Pei-Lin; Zhang, Xiao-Jie; Liu, Zhi-Pan

Atomic structure of boron resolved using machine learning and global sampling

CHEMICAL SCIENCE

IF7.4

2018-01-01

105

OAAI

Huang, Si-Da; Shang, Cheng; Kang, Pei-Lin; Liu, Zhi-Pan

研究方向