[HTML][HTML] Big data creates new opportunities for materials research: a review on methods and applications of machine learning for materials design

T Zhou, Z Song, K Sundmacher - Engineering, 2019 - Elsevier
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 …

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 …

Computer-aided molecular design: An introduction and review of tools, applications, and solution techniques

ND Austin, NV Sahinidis, DW Trahan - Chemical Engineering Research …, 2016 - Elsevier
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 …

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 …

[PDF][PDF] Computer aided molecular design: fundamentals, methods and applications

AI Papadopoulos11, I Tsivintzelis, P Linke… - Chem., Mol. Sci. and …, 2018 - researchgate.net
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 …

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 …

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 …

Optimal molecular design of working fluids for sustainable low-temperature energy recovery

O Palma-Flores, A Flores-Tlacuahuac… - Computers & Chemical …, 2015 - Elsevier
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 …

Improved correlations for working fluid properties prediction and their application in performance evaluation of sub-critical Organic Rankine Cycle

X Luo, Y Wang, J Liang, J Qi, W Su, Z Yang, J Chen… - Energy, 2019 - Elsevier
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) …

A systematic methodology for optimal mixture design in an integrated biorefinery

LY Ng, V Andiappan… - Computers & Chemical …, 2015 - Elsevier
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 …