[HTML][HTML] Big data creates new opportunities for materials research: a review on methods and applications of machine learning for materials design
Materials development has historically been driven by human needs and desires, and this is
likely to continue in the foreseeable future. The global population is expected to reach ten …
likely to continue in the foreseeable future. The global population is expected to reach ten …
Challenges and opportunities in computer-aided molecular design
LY Ng, FK Chong… - Computers & Chemical …, 2015 - Elsevier
In this paper, the significant development, current challenges and future opportunities in the
field of chemical product design using computer-aided molecular design (CAMD) tools are …
field of chemical product design using computer-aided molecular design (CAMD) tools are …
Computer-aided molecular design: An introduction and review of tools, applications, and solution techniques
This article provides an introduction to and review of the field of computer-aided molecular
design (CAMD). It is intended to be approachable for the absolute beginner as well as useful …
design (CAMD). It is intended to be approachable for the absolute beginner as well as useful …
Perspective for smart factory in petrochemical industry
D Li - Computers & Chemical Engineering, 2016 - Elsevier
Opportunities and challenges in the petrochemical industry and the emergence of massive
disruptive technologies have triggered a new revolution that has the power to fundamentally …
disruptive technologies have triggered a new revolution that has the power to fundamentally …
[PDF][PDF] Computer aided molecular design: fundamentals, methods and applications
Nomenclature dt0015 A Helmholtz free energy dt0020 Ak Matrix of number of occurrences of
molecular groups in molecule k dt0025 ACO Ant colony optimization dt0030 ADI Absorption …
molecular groups in molecule k dt0025 ACO Ant colony optimization dt0030 ADI Absorption …
Computer-aided molecular design of CO2-based mixture working fluid harvesting engine waste heat
J Wang, H Tian, R Sun, X Wang, L Li, X Zhang… - Applied Thermal …, 2023 - Elsevier
The CO 2 transcritical power cycle is an important method for recovering waste heat. The
cycle performance can be further improved by using CO 2-based mixtures instead of pure …
cycle performance can be further improved by using CO 2-based mixtures instead of pure …
Development of an efficient cross-scale model for working fluid selection of Rankine-based Carnot battery based on group contribution method
H Qiao, B Yang, X Yu - Renewable Energy, 2025 - Elsevier
Rankine-based Carnot battery is promising system with outstanding performances in
addressing the challenges of local consumption of renewable energy generation and …
addressing the challenges of local consumption of renewable energy generation and …
Optimal molecular design of working fluids for sustainable low-temperature energy recovery
The practical development of sustainable energy sources is presently one of the key
research topics due to its strong social and economic impact. Among the sources of …
research topics due to its strong social and economic impact. Among the sources of …
Improved correlations for working fluid properties prediction and their application in performance evaluation of sub-critical Organic Rankine Cycle
The utilization of renewable energy resources (eg, solar energy, geothermal energy, and
biomass energy) or recovery of waste heat (eg, industrial waste heat and engine waste heat) …
biomass energy) or recovery of waste heat (eg, industrial waste heat and engine waste heat) …
A systematic methodology for optimal mixture design in an integrated biorefinery
Biomass is a sustainable source of energy which can be utilised to produce value-added
products such as biochemical products and biomaterials. In order to produce a sustainable …
products such as biochemical products and biomaterials. In order to produce a sustainable …