标题
A data-science approach to predict the heat capacity of nanoporous materials
作者
关键词
-
出版物
NATURE MATERIALS
Volume -, Issue -, Pages -
出版商
Springer Science and Business Media LLC
发表日期
2022-10-14
DOI
10.1038/s41563-022-01374-3
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Prediction of Thermal Properties of Zeolites through Machine Learning
- (2022) Maxime Ducamp et al. Journal of Physical Chemistry C
- Direct Prediction of Phonon Density of States With Euclidean Neural Networks
- (2021) Zhantao Chen et al. Advanced Science
- Performance-Based Screening of Porous Materials for Carbon Capture
- (2021) Amir H. Farmahini et al. CHEMICAL REVIEWS
- Using collective knowledge to assign oxidation states of metal cations in metal–organic frameworks
- (2021) Kevin Maik Jablonka et al. Nature Chemistry
- How much can novel solid sorbents reduce the cost of post-combustion CO2 capture? A techno-economic investigation on the cost limits of pressure–vacuum swing adsorption
- (2021) Sai Gokul Subraveti et al. APPLIED ENERGY
- Using Machine Learning and Data Mining to Leverage Community Knowledge for the Engineering of Stable Metal–Organic Frameworks
- (2021) Aditya Nandy et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Realizing the data-driven, computational discovery of metal-organic framework catalysts
- (2021) Andrew S Rosen et al. Current Opinion in Chemical Engineering
- A New Equilibrium Shortcut Temperature Swing Adsorption Model for Fast Adsorbent Screening
- (2020) Abdulmalik Ajenifuja et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Metal–Organic Frameworks in Heterogeneous Catalysis: Recent Progress, New Trends, and Future Perspectives
- (2020) Anastasiya Bavykina et al. CHEMICAL REVIEWS
- Balancing volumetric and gravimetric uptake in highly porous materials for clean energy
- (2020) Zhijie Chen et al. SCIENCE
- Big-Data Science in Porous Materials: Materials Genomics and Machine Learning
- (2020) Kevin Maik Jablonka et al. CHEMICAL REVIEWS
- Materials Cloud, a platform for open computational science
- (2020) Leopold Talirz et al. Scientific Data
- Modeling the Structural and Thermal Properties of Loaded Metal–Organic Frameworks. An Interplay of Quantum and Anharmonic Fluctuations
- (2019) Venkat Kapil et al. Journal of Chemical Theory and Computation
- Thermal Engineering of Metal-Organic Frameworks for Adsorption Applications: A Molecular Simulations Perspective
- (2019) Jelle Wieme et al. ACS Applied Materials & Interfaces
- Building a Consistent and Reproducible Database for Adsorption Evaluation in Covalent–Organic Frameworks
- (2019) Daniele Ongari et al. ACS Central Science
- Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal–Organic Framework Database: CoRE MOF 2019
- (2019) Yongchul G. Chung et al. JOURNAL OF CHEMICAL AND ENGINEERING DATA
- Data-driven design of metal–organic frameworks for wet flue gas CO2 capture
- (2019) Peter G. Boyd et al. NATURE
- Matminer: An open source toolkit for materials data mining
- (2018) Logan Ward et al. COMPUTATIONAL MATERIALS SCIENCE
- The role of reticular chemistry in the design of CO2 reduction catalysts
- (2018) Christian S. Diercks et al. NATURE MATERIALS
- Improving the Mechanical Stability of Metal–Organic Frameworks Using Chemical Caryatids
- (2018) Seyed Mohamad Moosavi et al. ACS Central Science
- High-throughput density-functional perturbation theory phonons for inorganic materials
- (2018) Guido Petretto et al. Scientific Data
- Force-Field Prediction of Materials Properties in Metal-Organic Frameworks
- (2017) Peter G. Boyd et al. Journal of Physical Chemistry Letters
- Machine Learning Force Fields: Construction, Validation, and Outlook
- (2016) V. Botu et al. Journal of Physical Chemistry C
- Specific heat capacities of MOF-5, Cu-BTC, Fe-BTC, MOF-177 and MIL-53 (Al) over wide temperature ranges: Measurements and application of empirical group contribution method
- (2015) F.A. Kloutse et al. MICROPOROUS AND MESOPOROUS MATERIALS
- First principles phonon calculations in materials science
- (2015) Atsushi Togo et al. SCRIPTA MATERIALIA
- Evaluating different classes of porous materials for carbon capture
- (2014) Johanna M. Huck et al. Energy & Environmental Science
- Comprehensive study of carbon dioxide adsorption in the metal–organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
- (2014) Wendy L. Queen et al. Chemical Science
- Thermophysical properties of MOF-5 powders
- (2013) Yang Ming et al. MICROPOROUS AND MESOPOROUS MATERIALS
- The Chemistry and Applications of Metal-Organic Frameworks
- (2013) H. Furukawa et al. SCIENCE
- cp2k: atomistic simulations of condensed matter systems
- (2013) Jürg Hutter et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
- (2012) Shyue Ping Ong et al. COMPUTATIONAL MATERIALS SCIENCE
- Evaluating metal–organic frameworks for post-combustion carbon dioxide capture via temperature swing adsorption
- (2011) Jarad A. Mason et al. Energy & Environmental Science
- Effect of the damping function in dispersion corrected density functional theory
- (2011) Stefan Grimme et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Thermal Analysis and Heat Capacity Study of Metal–Organic Frameworks
- (2011) Bin Mu et al. Journal of Physical Chemistry C
- Dramatic Tuning of Carbon Dioxide Uptake via Metal Substitution in a Coordination Polymer with Cylindrical Pores
- (2008) Stephen R. Caskey et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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