All Research Papers Published In Molecular Systems Design & Engineering

Front Matter
10.1039/d5me90003d

Back cover

Jan 01, 2025
Molecular Systems Design & Engineering

Research Article
8
10.1039/d4me00168k

Accelerating multicomponent phase-coexistence calculations with physics-informed neural networks

Jan 01, 2025
Molecular Systems Design & Engineering
Satyen Dhamankar + 2 more +2

We develop a physics-informed machine learning workflow that accelerates multicomponent phase-coexistence calculations on the number, composition, and abundance of phases. The workflow is demonstrated for systems described by Flory–Huggins theory.

Front Matter
10.1039/d4me90019g

Back cover

Jan 01, 2024
Molecular Systems Design & Engineering

Front Matter
10.1039/d4me90034k

Contents list

Jan 01, 2024
Molecular Systems Design & Engineering

Research Article
11
10.1039/d3me00149k

Recent advances in metal–organic frameworks for lubrication

Jan 01, 2024
Molecular Systems Design & Engineering
Chenxia Wang + 4 more +4

In recent years, metal–organic frameworks (MOFs) have attracted much attention in lubrication due to their unique structures.

Research Article
10.1039/d4me00112e

Selective mineralization at hydrogel interface induced by fusion between peptide hydrogels

Jan 01, 2024
Molecular Systems Design & Engineering
Yongbaek Kim + 3 more +3

Biomineralization has garnered attention not only for its fundamental role in understanding the mechanisms of biomineral formation but also as a method for fabricating next-generation functional materials.

Front Matter
10.1039/d4me90028f

Back cover

Jan 01, 2024
Molecular Systems Design & Engineering

Research Article
4
10.1039/d4me00076e

Synthesis and catalytic application of ZSM-48 zeolite

Jan 01, 2024
Molecular Systems Design & Engineering
Wen Liu + 7 more +7

ZSM-48 is a kind of high-silica zeolite with one dimensional (1D) 10-member ring (10-MR) channel structure.

Research Article
8
10.1039/d3me00138e

On the use of modelling antagonistic enzymes to aid in temporal programming of pH and PVA–borate gelation

Jan 01, 2024
Molecular Systems Design & Engineering
Nadeem Bashir + 7 more +7

A model was developed to help predict how enzymes can be used to temporally control the gelation of polyvinyl alcohol (PVA) with borate.

Research Article
2
10.1039/d4me00113c

Graph-based networks for accurate prediction of ground and excited state molecular properties from minimal features

Jan 01, 2024
Molecular Systems Design & Engineering
Denish Trivedi + 2 more +2

Graph neural networks (GNN) have been demonstrated to correlate molecular structure with properties, enabling rapid evaluation of molecules for a given application.