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

Molecular Modeling-Based Machine Learning for Accurate Prediction of Gas Diffusivity and Permeability in Metal-Organic Frameworks

基于分子建模的机器学习方法可精确预测金属有机框架中的气体扩散系数和渗透系数

Sezgin, Pelin; Yüngül, Feride Neva; Karaca, Beste Naz; Gulbalkan, Hasan Can; Keskin, Seda

Design and Synthesis of a High-Performance Copper(II) Metal-Organic Framework Featuring Large Surface Area and Enhanced Methane Adsorption Capacity from a Thiophene-Functionalized Diisophthalic Acid Ligand

利用噻吩官能化的二异酞酸配体设计合成具有大表面积和增强的甲烷吸附能力的高性能铜(II)金属有机框架

Yeşilel, Okan Zafer; Coşkun, Ferihan Tataş; Aydogdu, Ahmet Safa; Uzun, Alper; Gulbalkan, Hasan Can; Keskin, Seda; Görgün, Kamuran; Arıcı, Mürsel

ReDD-COFFEE under the Lens: Revealing Adsorption and Separation Performances of Hypothetical COFs Using Molecular Simulations and Machine Learning

聚焦RedDD-COFFEE:利用分子模拟和机器学习揭示假想共价有机框架的吸附和分离性能

Ozyurt, Hilal; Aksu, Gokhan Onder; Gulbalkan, Hasan Can; Keskin, Seda

Computational Simulations of Metal-Organic Frameworks to Enhance Adsorption Applications

利用计算模拟增强金属有机框架的吸附性能

Daglar, Hilal; Gulbalkan, Hasan Can; Aksu, Gokhan Onder; Keskin, Seda

Artificial Intelligence Paradigms for Next-Generation Metal-Organic Framework Research

面向下一代金属有机框架研究的人工智能范式

Ozcan, Aydin; Coudert, François-Xavier; Rogge, Sven M J; Heydenrych, Greta; Fan, Dong; Sarikas, Antonios P; Keskin, Seda; Maurin, Guillaume; Froudakis, George E; Wuttke, Stefan; Erucar, Ilknur

The COF Space: Materials Features, Gas Adsorption, and Separation Performances Assessed by Machine Learning

COF领域:基于机器学习的材料特性、气体吸附和分离性能评估

Aksu, Gokhan Onder; Keskin, Seda

Evaluating CH(4)/N(2) Separation Performances of Hundreds of Thousands of Real and Hypothetical MOFs by Harnessing Molecular Modeling and Machine Learning

利用分子建模和机器学习评估数十万种真实和假设的金属有机框架材料对 CH₄/N₂ 的分离性能

Gulbalkan, Hasan Can; Uzun, Alper; Keskin, Seda

Assessment of fine-tuned large language models for real-world chemistry and material science applications

评估针对实际化学和材料科学应用的精细化大型语言模型

Van Herck, Joren; Gil, María Victoria; Jablonka, Kevin Maik; Abrudan, Alex; Anker, Andy S; Asgari, Mehrdad; Blaiszik, Ben; Buffo, Antonio; Choudhury, Leander; Corminboeuf, Clemence; Daglar, Hilal; Elahi, Amir Mohammad; Foster, Ian T; Garcia, Susana; Garvin, Matthew; Godin, Guillaume; Good, Lydia L; Gu, Jianan; Xiao Hu, Noémie; Jin, Xin; Junkers, Tanja; Keskin, Seda; Knowles, Tuomas P J; Laplaza, Ruben; Lessona, Michele; Majumdar, Sauradeep; Mashhadimoslem, Hossein; McIntosh, Ruaraidh D; Moosavi, Seyed Mohamad; Mouriño, Beatriz; Nerli, Francesca; Pevida, Covadonga; Poudineh, Neda; Rajabi-Kochi, Mahyar; Saar, Kadi L; Hooriabad Saboor, Fahimeh; Sagharichiha, Morteza; Schmidt, K J; Shi, Jiale; Simone, Elena; Svatunek, Dennis; Taddei, Marco; Tetko, Igor; Tolnai, Domonkos; Vahdatifar, Sahar; Whitmer, Jonathan; Wieland, D C Florian; Willumeit-Römer, Regine; Züttel, Andreas; Smit, Berend

Rational design of lanthanide-based metal-organic frameworks for CO(2) capture using computational modeling

利用计算模型合理设计镧系金属有机框架材料用于CO₂捕获

Haslak, Zeynep Pinar; Gulbalkan, Hasan Can; Keskin, Seda

Therapeutic potential of young plasma in reversing age-related liver inflammation via modulation of NLRP3 inflammasome and necroptosis.

年轻血浆通过调节 NLRP3 炎症小体和坏死性凋亡逆转年龄相关性肝脏炎症的治疗潜力

Baba Burcu, Ceylani Taha, Teker Hikmet Taner, Keskin Seda, Genc Aysun Inan, Gurbanov Rafig, Acikgoz Eda