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Andreas Erlebach

Charles University Prague

H指数:15

被引数:633

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Water Adsorption at Pairs of Proximate Brønsted Acid Sites in Zeolites

JOURNAL OF PHYSICAL CHEMISTRY LETTERS

IF4.6

2026-01-010

PRE

Mobility and sintering of silica-supported platinum clusters via reactive neural network potentials

二氧化硅负载铂纳米团簇的迁移与烧结：基于反应性神经网络势的研究

Journal of Catalysis

IF6.5

2025-11-110

PRE

27Al NMR chemical shifts in zeolite MFI via machine learning acceleration of structure sampling and shift prediction

DIGITAL DISCOVERY

IF5.6

2025-01-011

OA

A machine learning approach for dynamical modelling of Al distributions in zeolites via23Na/27Al solid-state NMR

FARADAY DISCUSSIONS

IF3.1

2025-01-011

OA

A reactive neural network framework for water-loaded acidic zeolites

NATURE COMMUNICATIONS

IF15.7

2024-05-1710

OAAI

Germanium distributions in zeolites derived from neural network potentials

CATALYSIS SCIENCE & TECHNOLOGY

IF4.2

2024-01-010

OA

Migration of zeolite-encapsulated subnanometre platinum clusters via reactive neural network potentials

IF5.1

2024-01-014

OA

The effect of glass structure and local rare earth site symmetry on the optical properties of rare earth doped alkaline earth aluminosilicate glasses

玻璃结构和局部稀土位点对称性对稀土掺杂碱土铝硅酸盐玻璃光学性能的影响

ACTA MATERIALIA

IF9.3

2023-05-0110

PRE

Constructing Collective Variables Using Invariant Learned Representations

使用不变的学习表示构造集体变量

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-01-2515

OAAI

The need for operando modelling of 27Al NMR in zeolites: the effect of temperature, topology and water

CHEMICAL SCIENCE

IF7.4

2023-01-017

OAAI

Correction: The need for operando modelling of 27Al NMR in zeolites: the effect of temperature, topology and water

CHEMICAL SCIENCE

IF7.4

2023-01-010

OAAI

Accurate large-scale simulations of siliceous zeolites by neural network potentials

NPJ COMPUTATIONAL MATERIALS

IF11.9

2022-08-1928

OA

The Structure of Gd3+-Doped Li2O and K2O Containing Aluminosilicate Glasses from Molecular Dynamics Simulations

分子动力学模拟的含Gd3掺杂Li2O和K2O的铝硅酸盐玻璃的结构

IF3.2

2021-06-1210

OAAI

Block Copolymers Composed of PEtOx and Polyesteramides Based on Glycolic Acid, L-Valine, and L-Isoleucine

IF5.2

2020-04-2416

PREAI

Structure Prediction of Rare Earth Doped BaO and MgO Containing Aluminosilicate Glasses-the Model Case of Gd2O3

稀土掺杂的BaO和MgO含铝硅酸盐玻璃的结构预测-Gd2O3的模型案例

IF3.2

2018-09-2015

OAAI

Kinetics of Decelerated Melting

ADVANCED SCIENCE

IF14.1

2018-03-0110

OAAI

Effect of Al2O3 on phase formation and thermal expansion of a BaO-SrO-ZnO-SiO2 glass ceramic

CERAMICS INTERNATIONAL

IF5.6

2018-02-016

PREAI

Ab Initio energetics of SiO bond cleavage

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2017-07-2721

PREAI

Different Reactivity of As4 towards Disilenes and Silylenes

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2017-05-0417

PREAI

Pnictogen-Silicon Analogues of Benzene

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2016-08-1658

PREAI