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Antonia S. Kuhn

massachusetts institute of technology

H指数:2

被引数:17

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Computational discovery of polymer electrolytes with Bayesian optimization and high-throughput molecular dynamics simulations

基于贝叶斯优化和高通量分子动力学模拟的聚合物电解质计算发现

IF17.5

2026-07-160

PRE

Rapid Access to Small Molecule Conformational Ensembles in Organic Solvents Enabled by Graph Neural Network-Based Implicit Solvent Model

基于图神经网络隐式溶剂模型的有机溶剂中小分子构象集合的快速获取

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2025-04-100

OA

Predicting the Na+ ion transport properties of NaSICON materials using density functional theory and Kinetic Monte Carlo

使用密度泛函理论和动力学蒙特卡洛预测NaSICON材料的Na离子传输特性

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2023-01-012

PRE