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J
Joachim Groß
university of stuttgart
38
H指数
215
论文数
9.4K
被引数
0
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102
发表时间
发表时间
IF
被引数
Pure Substance Shear Viscosities Based on a Revised Entropy Scaling Model Using an Analytic Equation of State
基于修正熵缩放模型和分析状态方程的纯物质剪切黏度
Industrial & Engineering Chemistry Research
IF
0
2026-05-18
0
OA
AI
Timo Klenk; Gernot Bauer; Julia Burkhardt; Joachim Gross
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Efficient Prediction of Multicomponent Adsorption Isotherms and Enthalpies of Adsorption in MOFs Using Classical Density Functional Theory
使用经典密度泛函理论有效预测mof中的多组分吸附等温线和吸附焓
The Journal of Physical Chemistry B
IF
2.9
2026-02-05
0
OA
AI
Nadine Thiele; Tiong Wei Teh; Benjamin Bursik; Marcel Granderath; Gernot Bauer; Vincent Dufour-Décieux; Philipp Rehner; Rolf Stierle; André Bardow; Niels Hansen; Joachim Gross
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A New Group-Contribution Approach for Ideal Gas Heat Capacity, Critical Temperature and Normal Boiling Point
一种用于理想气体热容、临界温度和正常沸点的新基团贡献法
Journal of Chemical and Engineering Data
IF
2.1
2025-12-01
0
PRE
AI
Burkhardt, Julia; Bauer, Gernot; Stierle, Rolf; Gross, Joachim
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Parametrized; Transferable Classical Density Functional Theory for Alkane/Alkene Separation in Cationic Zeolites
参数化;适用于阳离子沸石中烷烃/烯烃分离的可转移经典密度泛函理论
The Journal of Physical Chemistry B
IF
2.9
2025-11-22
0
PRE
AI
Tiong Wei Teh; André Kowoll; Gernot Bauer; Rolf Stierle; Joachim Gross; Niels Hansen
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Mass transfer through vapor–liquid interfaces from hydrodynamic density functional theory
通过流体动力学密度泛函理论进行的气-液界面传质
International Journal of Heat and Mass Transfer
IF
5.8
2025-10-17
0
OA
AI
Benjamin Bursik; Frederic Bender; Rolf Stierle; Gernot Bauer; Joachim Gross
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Unlocking hydrogen’s potential: Prediction of adsorption in metal-organic frameworks for sustainable energy storage
解锁氢能潜力:金属有机框架中吸附作用的预测及可持续能源存储
International Journal of Hydrogen Energy
IF
8.3
2025-10-08
0
OA
AI
Nadine Thiele; Rolf Stierle; Tim Menzel; Marcelle B.M. Spera; Joachim Gross
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Towards a practical WCA theory for chain molecules: eliminating the density-dependent hard-sphere diameter from the description of the radial distribution function at contact
迈向链状分子的实用WCA理论:从接触径向分布函数的描述中消除密度相关的硬球直径
MOLECULAR PHYSICS
IF
1.8
2025-09-01
0
PRE
AI
van Westen, Thijs; Gross, Joachim
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Modelling interfacial dynamics using hydrodynamic density functional theory: dynamic contact angles and the role of local viscosity
JOURNAL OF FLUID MECHANICS
IF
3.9
2025-08-01
2
OA
AI
Bursik, Benjamin; Stierle, Rolf; Oukili, Hamza; Schneider, Martin; Bauer, Gernot; Gross, Joachim
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Primitive and non-primitive model electrolytes: Comparing ion-related Helmholtz energies using molecular simulations
原始和非原始模型电解质:通过分子模拟比较离子相关的亥姆霍兹能
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2025-03-26
0
PRE
AI
Reimer, Anja; Reisch, Isabell; Gross, Joachim
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Gaussian Process-Supported Optimization of the Transferable Anisotropic Mie Potential Force Field for Primary Alkylamines
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
IF
3.9
2025-03-01
0
PRE
AI
Fleck, Maximilian; Katsuta, Rei; Esper, Timm; Hansen, Niels; Gross, Joachim
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Classical density functional theory as a fast and accurate method for adsorption property prediction of porous materials
经典密度泛函理论作为多孔材料吸附性能预测的快速准确方法
AICHE JOURNAL
IF
4
2025-02-21
1
PRE
AI
André Bardow; Elias Moubarak; Joachim Groß; Johannes Schilling; Philipp Rehner; Vincent Dufour‐Décieux
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Effect of Chain Conformation on the Free Energy of Dilute Polymer Solutions: Monte Carlo Simulations and Perturbation Theory for the Second Virial Coefficient of Lennard-Jones Chains
MACROMOLECULES
IF
5.2
2025-01-16
0
PRE
AI
Reimer, Anja; Gross, Joachim; van Westen, Thijs
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Corresponding-states framework for classical and quantum fluids-Beyond Feynman-Hibbs
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2025-01-15
2
PRE
AI
van Westen, Thijs; Bauer, Gernot; Gross, Joachim
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Process-based screening of porous materials for vacuum swing adsorption based on 1D classical density functional theory and PC-SAFT
基于一维经典密度泛函理论和pc-saft的真空变压吸附多孔材料的过程筛选
MOLECULAR SYSTEMS DESIGN & ENGINEERING
IF
3.2
2025-01-01
1
OA
AI
Mayer, Fabian; Buhk, Benedikt; Schilling, Johannes; Rehner, Philipp; Gross, Joachim; Bardow, Andre
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Classical density functional theory in three dimensions with GPU-accelerated automatic differentiation: Computational performance analysis using the example of adsorption in covalent-organic frameworks
CHEMICAL ENGINEERING SCIENCE
IF
4.3
2024-10-01
7
OA
AI
Stierle, Rolf; Bauer, Gernot; Thiele, Nadine; Bursik, Benjamin; Rehner, Philipp; Gross, Joachim
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Modeling Dipolar Molecules with PCP-SAFT: A Vector Group-Contribution Method
用pcp-saft模拟偶极分子: 矢量基团贡献法
ACS OMEGA
IF
4.3
2024-09-05
1
OA
AI
Hemprich, Carl; Rehner, Philipp; Esper, Timm; Gross, Joachim; Roskosch, Dennis; Bardow, Andre
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Efficient Generation of Torsional Energy Profiles by Multifidelity Gaussian Processes for Hindered Rotor Corrections
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF
5.5
2024-08-20
0
PRE
AI
Fleck, Maximilian; Kopp, Wassja A.; Viswanathan, Narasimhan; Hansen, Niels; Gross, Joachim; Leonhard, Kai
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Adsorption Modeling Based on Classical Density Functional Theory and PC-SAFT: Temperature Extrapolation and Fluid Transfer
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
IF
3.9
2024-08-01
2
OA
AI
Mayer, Fabian; Rehner, Philipp; Seiler, Jan; Schilling, Johannes; Gross, Joachim; Bardow, Andre
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Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment
共价有机框架中客体分子的自扩散: 模拟和实验
ACS NANO
IF
16
2024-06-11
1
OA
AI
Grunenberg, Lars; Kessler, Christopher; Teh, Tiong Wei; Schuldt, Robin; Heck, Fabian; Kaestner, Johannes; Gross, Joachim; Hansen, Niels; Lotsch, Bettina V.
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Computer-aided molecular refrigerant design for adsorption chillers based on classical density functional theory and PC-SAFT
COMPUTERS & CHEMICAL ENGINEERING
IF
3.9
2024-05-01
5
OA
AI
Mayer, Fabian; Spiekermann, Lukas; Rueben, Lisa; Rehner, Philipp; Seiler, Jan; Schilling, Johannes; Gross, Joachim; Bardow, Andre
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研究方向
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合作学者
合作期刊
F
Freek Kapteijn
H 指数: 121 · 论文数: 841
J
Jorge Gascón
H 指数: 113 · 论文数: 643
B
Bettina V. Lotsch
H 指数: 87 · 论文数: 582
G
George W. Scherer
H 指数: 86 · 论文数: 404
T
Thijs J. H. Vlugt
H 指数: 73 · 论文数: 435
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