Machine learning for melting temperature predictions and design in polyhydroxyalkanoate-based biopolymers
KK Bejagam, J Lalonde, CN Iverson… - The Journal of …, 2022 - ACS Publications
Diminishing fossil fuel-based resources and ever-growing environmental concerns related
to plastic pollution demand for the development of sustainable and biodegradable polymeric …
to plastic pollution demand for the development of sustainable and biodegradable polymeric …
Machine-learning-based predictive modeling of glass transition temperatures: a case of polyhydroxyalkanoate homopolymers and copolymers
Polyhydroxyalkanoate-based polymers—being ecofriendly, biosynthesizable, and
economically viable and possessing a broad range of tunable properties—are currently …
economically viable and possessing a broad range of tunable properties—are currently …
Multitask Neural Network for Mapping the Glass Transition and Melting Temperature Space of Homo- and Co-Polyhydroxyalkanoates Using σProfiles Molecular …
Polyhydroxyalkanoates (PHAs) are an emerging type of bioplastic that have the potential to
replace petroleum-based plastics. They are biosynthetizable, biodegradable, and …
replace petroleum-based plastics. They are biosynthetizable, biodegradable, and …
Molecular dynamics simulations for glass transition temperature predictions of polyhydroxyalkanoate biopolymers
KK Bejagam, CN Iverson, BL Marrone… - Physical Chemistry …, 2020 - pubs.rsc.org
Polyhydroxyalkanoates (PHAs) represent an emerging class of biosynthetic and
biodegradable polyesters that exhibit considerable potential to replace petroleum-based …
biodegradable polyesters that exhibit considerable potential to replace petroleum-based …
[HTML][HTML] A deep neural network for accurate and robust prediction of the glass transition temperature of polyhydroxyalkanoate homo-and copolymers
The purpose of this study was to develop a data-driven machine learning model to predict
the performance properties of polyhydroxyalkanoates (PHAs), a group of biosourced …
the performance properties of polyhydroxyalkanoates (PHAs), a group of biosourced …
Composition and configuration dependence of glass-transition temperature in binary copolymers and blends of polyhydroxyalkanoate biopolymers
KK Bejagam, CN Iverson, BL Marrone… - Macromolecules, 2021 - ACS Publications
Polyhydroxyalkanoates (PHAs), a promising class of biomaterials, have gained
considerable attention to replace petroleum-based plastics owing to their excellent …
considerable attention to replace petroleum-based plastics owing to their excellent …
Polymer informatics beyond homopolymers
Polymers are diverse and versatile materials that have met a wide range of material
application demands. They come in several flavors and architectures (eg, homopolymers …
application demands. They come in several flavors and architectures (eg, homopolymers …
[HTML][HTML] Bioplastic design using multitask deep neural networks
Non-degradable plastic waste jeopardizes our environment, yet our modern lifestyle and
current technologies are impossible to sustain without plastics. Bio-synthesized and …
current technologies are impossible to sustain without plastics. Bio-synthesized and …
[HTML][HTML] Predicting the mechanical response of polyhydroxyalkanoate biopolymers using molecular dynamics simulations
Polyhydroxyalkanoates (PHAs) have emerged as a promising class of biosynthesizable,
biocompatible, and biodegradable polymers to replace petroleum-based plastics for …
biocompatible, and biodegradable polymers to replace petroleum-based plastics for …
[PDF][PDF] Machine learning discovery of high-temperature polymers
To formulate a machine learning (ML) model to establish the polymer's structure-property
correlation for glass transition temperature T g, we collect a diverse set of nearly 13,000 real …
correlation for glass transition temperature T g, we collect a diverse set of nearly 13,000 real …