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Glycomaterials Chronicles

Explore curated research chronicles, originating experimental data, spectral analysis, and related open-access publications across carbohydrate materials research.

Open Access publications hosted on VTechWorks
In-House Research
<p>Toward Automatic Inference of Glycan Linkages Using MSn and Machine Learning - Proof of Concept Using Sialic Acid Linkages</p>

Toward Automatic Inference of Glycan Linkages Using MSn and Machine Learning - Proof of Concept Using Sialic Acid Linkages

Xinyi Ni, Nathan B. Murray, Stephanie Archer-Hartmann, Lauren E. Pepi, Richard F...

  1. Brandeis University
  2. University of Georgia, Athens
  3. Virginia Tech
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In-House Research
<p>Predicting the stereoselectivity of chemical reactions by composite machine learning method</p>

Predicting the stereoselectivity of chemical reactions by composite machine learning method

Jihoon Chung1, Justin Li2, Amirul Islam Saimon3, Pengyu Hong4, & Zhenyu Kong3

1Department of Industrial Engineering, Pusan National University, Busan, Korea.

...
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In-House Research
Open Access
<p>Coarse-grained molecular dynamics integrated with convolutional neural network for comparing shapes of temperature sensitive bottlebrushes</p>

Coarse-grained molecular dynamics integrated with convolutional neural network for comparing shapes of temperature sensitive bottlebrushes

SY Joshi, S Singh, SA Deshmukh

Department of Chemical Engineering, Virginia Tech, Blacksburg, VA, 24061, USA

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In-House Research
<p>Rapid, Autonomous High-throughput Characterization of Hydrogel Rheological Properties via Automated Sensing and Physics-guided Machine Learning</p>

Rapid, Autonomous High-throughput Characterization of Hydrogel Rheological Properties via Automated Sensing and Physics-guided Machine Learning

Junru Zhang a, Yang Liu a b, Durga Chandra Sekhar.P c, Manjot Singh a, Yuxin Ton...

a Grado Department of Industrial and Systems Engineering, Virginia Tech, Blacksb...

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External User
<p>Experimentally validated inverse design of FeNiCrCoCu MPEAs and unlocking key insights with explainable AI</p>

Experimentally validated inverse design of FeNiCrCoCu MPEAs and unlocking key insights with explainable AI

Fangxi Wang, Allana G. Iwanicki, Abhishek T. Sose, Lucas A. Pressley, Tyrel M. M...

William H. Miller III Department of Physics and Astronomy, Johns Hopkins Univers...

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In-House Research
<p>Data Driven Discovery of MOFs for Hydrogen Gas Adsorption</p>

Data Driven Discovery of MOFs for Hydrogen Gas Adsorption

Singh, Samrendra K.; Sose, Abhishek T.; Wang, Fangxi; Bejagam, Karteek K.; Deshm...

Department of Chemical Engineering, Virginia Tech, Blacksburg, Virginia 24061, U...

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In-House Research
<p>Imbalanced spectral data analysis using data augmentation based on the generative adversarial network</p>

Imbalanced spectral data analysis using data augmentation based on the generative adversarial network

Jihoon Chung1, Junru Zhang2, Amirul Islam Saimon2, Yang Liu2, Blake N. Johnson2*...

1Department of Industrial Engineering, Pusan National University, Busan, South K...

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In-House Research
<p>Improving biosensor accuracy and speed using dynamic signal change and theory-guided deep learning</p>

Improving biosensor accuracy and speed using dynamic signal change and theory-guided deep learning

Junru Zhang a, Purna Srivatsa b, Fazel Haq Ahmadzai a, Yang Liu a c, Xuerui Song...

aGrado Department of Industrial and Systems Engineering, Virginia Tech, Blacksbu...

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In-House Research
<p>A review of recent advances and applications of machine learning in tribology</p>

A review of recent advances and applications of machine learning in tribology

Sose, Abhishek T; Joshi, Soumil Y; Kunche, Lakshmi Kumar; Wang, Fangxi; Deshmukh...

Department of Chemical Engineering, Virginia Tech, Blacksburg, VA 24061, USA

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In-House Research
<p>Scalable Accelerated Materials Discovery of Sustainable Polysaccharide-Based Hydrogels by Autonomous Experimentation and Collaborative Learning</p>

Scalable Accelerated Materials Discovery of Sustainable Polysaccharide-Based Hydrogels by Autonomous Experimentation and Collaborative Learning

Yang Liu, Xubo Yue, Junru Zhang, Zhenghao Zhai, Ali Moammeri, Kevin J. Edgar, Al...

Department of Mechanical and Industrial Engineering, Northeastern University, Bo...

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In-House Research
<p>TransPeakNet for solvent-aware 2D NMR prediction via multi-task pre-training and unsupervised learning</p>

TransPeakNet for solvent-aware 2D NMR prediction via multi-task pre-training and unsupervised learning

Yunrui Li, Hao Xu, Ambrish Kumar, Duo-Sheng Wang, Christian Heiss, Parastoo Azad...

Department of Chemistry, Boston College, Chestnut Hill, MA, USA.; Department of ...

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In-House Research
<p>Rapid, autonomous high-throughput characterization of hydrogel rheological properties via automated sensing and physics-guided machine learning</p>

Rapid, autonomous high-throughput characterization of hydrogel rheological properties via automated sensing and physics-guided machine learning

Zhang, Junru; Liu, Yang; Sekhar.P, Durga Chandra; Singh, Manjot; Tong, Yuxin; Ku...

aGrado Department of Industrial and Systems Engineering, Virginia Tech, Blacksbu...

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In-House Research
<p>Graph&ndash;Graph Similarity Network</p>

Graph–Graph Similarity Network

Han Yue, Pengyu Hong, Hongfu Liu

Michtom School of Computer Science, Brandeis University, Waltham, MA, USA

 

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In-House Research
<p>Knowledgebra: An Algebraic Learning Framework for Knowledge Graph</p>

Knowledgebra: An Algebraic Learning Framework for Knowledge Graph

Yang, Tong, Yifei Wang, Long Sha, Jan Engelbrecht, and Pengyu Hong

Department of Physics, Boston College, Chestnut Hill, MA 02135, USA

Departmen...

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