New frontiers for the materials genome initiative

JJ de Pablo, NE Jackson, MA Webb, LQ Chen… - npj Computational …, 2019 - nature.com
Abstract The Materials Genome Initiative (MGI) advanced a new paradigm for materials
discovery and design, namely that the pace of new materials deployment could be …

Applications of artificial intelligence and machine learning algorithms to crystallization

C Xiouras, F Cameli, GL Quillo… - Chemical …, 2022 - ACS Publications
Artificial intelligence and specifically machine learning applications are nowadays used in a
variety of scientific applications and cutting-edge technologies, where they have a …

Assessment of recent process analytical technology (PAT) trends: a multiauthor review

LL Simon, H Pataki, G Marosi, F Meemken… - … Process Research & …, 2015 - ACS Publications
This multiauthor review article aims to bring readers up to date with some of the current
trends in the field of process analytical technology (PAT) by summarizing each aspect of the …

[PDF][PDF] Materials Acceleration Platform: Accelerating Advanced Energy Materials Discovery by Integrating High-Throughput Methods and Artificial Intelligence.

A Aspuru-Guzik, K Persson - Mission Innovation, 2018 - dash.harvard.edu
Materials are an essential element of advanced energy technologies. Accelerating the
discovery of new materials, and the associated research required for maturing these …

Application of PAT-based feedback control approaches in pharmaceutical crystallization

Y Gao, T Zhang, Y Ma, F Xue, Z Gao, B Hou, J Gong - Crystals, 2021 - mdpi.com
Crystallization is one of the important unit operations for the separation and purification of
solid products in the chemical, pharmaceutical, and pesticide industries, especially for …

Monitoring continuous crystallization of paracetamol in the presence of an additive using an integrated PAT array and multivariate methods

KA Powell, AN Saleemi, CD Rielly… - … Process Research & …, 2016 - ACS Publications
In this study, an automated intelligent decision support (IDS) framework was applied to
monitor the continuous crystallization of form I paracetamol (PCM) and determine steady …

Comparative study on ATR-FTIR calibration models for monitoring solution concentration in cooling crystallization

F Zhang, T Liu, XZ Wang, J Liu, X Jiang - Journal of Crystal Growth, 2017 - Elsevier
In this paper calibration model building based on using an ATR-FTIR spectroscopy is
investigated for in-situ measurement of the solution concentration during a cooling …

Optimization of cooling strategy and seeding by FBRM analysis of batch crystallization

D Zhang, L Liu, S Xu, S Du, W Dong, J Gong - Journal of Crystal Growth, 2018 - Elsevier
A method is presented for optimizing the cooling strategy and seed loading simultaneously.
Focused beam reflectance measurement (FBRM) was used to determine the approximating …

Effective control of crystal size via an integrated crystallization, wet milling, and annealing recirculation system

W Meng, E Sirota, H Feng, JP McMullen… - … Process Research & …, 2020 - ACS Publications
For drug substance manufacturing, it is necessary to have a robust crystallization process
that can isolate quality active pharmaceutical ingredients with the desired crystal size …

Crystallization process monitoring and control using process analytical technology

LL Simon, E Simone, KA Oucherif - Computer Aided Chemical Engineering, 2018 - Elsevier
In the past two decades, crystallization process understanding and development has been
significantly improved by the use of process analytical technology methods. This chapter …