Hanyu GAO
高寒宇
PhD in Chemical and Biological Engineering
Northwestern University, 2017

Assistant Professor
Department of Chemical and Biological Engineering



(852) 3469 2443
hanyugao@ust.hk
Room CYT2002B
Personal Web

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Google Scholar
zL4-oVYAAAAJ

ORCID
0000-0002-6346-0739

Scopus ID
57207893350




Research Interest Publications Teaching Assignment RPG Supervision




Research Interest

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Chemical process design and optimization
Artificial intelligence
Polymer
Reactor engineering



Publications

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All Years 13 2022 0 2021 1 2020 3 2019 1 2018 2 2017 2 2016 4

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2021 1

Direct Optimization across Computer-Generated Reaction Networks Balances Materials Use and Feasibility of Synthesis Plans for Molecule Libraries
Journal of Chemical Information and Modeling, v. 61, (1), January 2021, p. 493-504
Gao, Hao; Pauphilet, Jean; Struble, Thomas J.; Coley, Connor W.; Jensen, Klavs F. Article

2020 3

Artificial Intelligence for Computer-Aided Synthesis In Flow: Analysis and Selection of Reaction Components
Frontiers in Chemical Engineering, 4 August 2020
Plehiers, Pieter P.; Coley, Connor W.; Gao, Hanyu; Vermeire, Florence H.; Dobbelaere, Maarten R.; Stevens, Christian V.; Van Geem, Kevin M.; Green, William H. Article
Combining retrosynthesis and mixed-integer optimization for minimizing the chemical inventory needed to realize a WHO essential medicines list
Reaction Chemistry and Engineering, v. 5, (2), February 2020, p. 367-376
Gao, Hanyu; Coley, Connor W.; Struble, Thomas J.; Li, Linyan; Qian, Yujie; Green, William H.; Jensen, Klavs F. Article
Towards efficient discovery of green synthetic pathways with Monte Carlo tree search and reinforcement learning
Chemical Science, v. 11, (40), October 2020, p. 10959-10972
Wang, Xiaoxue; Qian, Yujie; Gao, Hanyu; Coley, Connor W.; Mo, Yiming; Barzilay, Regina; Jensen, Klavs F. Article

2019 1

A robotic platform for flow synthesis of organic compounds informed by AI planning
Science, v. 365, (6453), August 2019, article number eaax1566
Coley, Connor W.; Thomas, Dale A. III; Lummiss, Justin A.M.; Jaworski, Jonathan N.; Breen, Christopher P.; Schultz, Victor; Hart, Travis; Fishman, Joshua S.; Rogers, Luke; Gao, Hanyu; Hicklin, Robert W.; Plehiers, Pieter P.; Byington, Joshua; Piotti, John S.; Green, William H.; Hart, A. John; Jamison, Timothy F.; Jensen, Klavs F. Article

2018 2

Application and comparison of derivative-free optimization algorithms to control and optimize free radical polymerization simulated using the kinetic Monte Carlo method
Computers and Chemical Engineering, v. 108, January 2018, p. 268-275
Gao, Hanyu; Waechter, Andreas; Konstantinov, Ivan A.; Arturo, Steven G.; Broadbelt, Linda J. Article
Using Machine Learning to Predict Suitable Conditions for Organic Reactions
ACS Central Science, v. 4 , (11), November 2018, p. 1465-1476
Gao, Hanyu; Struble, Thomas J.; Coley, Connor W.; Wang, Yuran; Green, William H.; Jensen, Klavs F. Article

2017 2

Acceleration of kinetic monte carlo simulations of free radical copolymerization: A hybrid approach with scaling
AIChE Journal, v. 63, (9), September 2017, p. 4013-4021
Gao, Hanyu; Broadbelt, Linda J.; Konstantinov, Ivan A.; Arturo, Steven G. Article
On the modeling of number and weight average molecular weight of polymers
Chemical Engineering Journal, v. 327, November 2017, p. 906-913
Gao, Hanyu; Konstantinov, Ivan A.; Arturo, Steven G.; Broadbelt, Linda J. Article

2016 1

A Combined Computational and Experimental Study of Copolymerization Propagation Kinetics for 1-Ethylcyclopentyl methacrylate and Methyl methacrylate
Macromolecular Theory and Simulations, v. 25, (3), May 2016, p. 263-273
Zhang, Guozhen; Zhang, Lanhe; Gao, Hanyu; Konstantinov, Ivan A.; Arturo, Steven G.; Yu, Decai; Torkelson, John M.; Broadbelt, Linda J. Article

2015 1

Acceleration of Kinetic Monte Carlo Method for the Simulation of Free Radical Copolymerization through Scaling
Industrial and Engineering Chemistry Research, v. 54, (48), October 2015, p. 11975-11985
Gao, Hanyu; Oakley, Lindsay H.; Konstantinov, Ivan A.; Arturo, Steven G.; Broadbelt, Linda J. Article

2014 2

Design of Copolymers Based on Sequence Distribution for a Targeted Molecular Weight and Conversion
Macromolecular Theory and Simulations, v. 23, (9), November 2014, p. 564-574
Regatte, Venkat Reddy; Gao, Hanyu; Konstantinov, Ivan A.; Arturo, Steven G.; Broadbelt, Linda J. Article
Modeling and optimization of a two-stage MOF-based pressure/vacuum swing adsorption process coupled with material selection
Chemical Engineering Transactions, v. 39, 2014, p. 277-282
Leperi, Karson; Gao, Hanyu; Snurr, Randall Q.; You, Fengqi Conference paper


Expand All Collapse All


Article 1

Direct Optimization across Computer-Generated Reaction Networks Balances Materials Use and Feasibility of Synthesis Plans for Molecule Libraries
Journal of Chemical Information and Modeling, v. 61, (1), January 2021, p. 493-504
Gao, Hao; Pauphilet, Jean; Struble, Thomas J.; Coley, Connor W.; Jensen, Klavs F.


Expand All Collapse All


Article 3

Artificial Intelligence for Computer-Aided Synthesis In Flow: Analysis and Selection of Reaction Components
Frontiers in Chemical Engineering, 4 August 2020
Plehiers, Pieter P.; Coley, Connor W.; Gao, Hanyu; Vermeire, Florence H.; Dobbelaere, Maarten R.; Stevens, Christian V.; Van Geem, Kevin M.; Green, William H.
Combining retrosynthesis and mixed-integer optimization for minimizing the chemical inventory needed to realize a WHO essential medicines list
Reaction Chemistry and Engineering, v. 5, (2), February 2020, p. 367-376
Gao, Hanyu; Coley, Connor W.; Struble, Thomas J.; Li, Linyan; Qian, Yujie; Green, William H.; Jensen, Klavs F.
Towards efficient discovery of green synthetic pathways with Monte Carlo tree search and reinforcement learning
Chemical Science, v. 11, (40), October 2020, p. 10959-10972
Wang, Xiaoxue; Qian, Yujie; Gao, Hanyu; Coley, Connor W.; Mo, Yiming; Barzilay, Regina; Jensen, Klavs F.


Expand All Collapse All


Article 1

A robotic platform for flow synthesis of organic compounds informed by AI planning
Science, v. 365, (6453), August 2019, article number eaax1566
Coley, Connor W.; Thomas, Dale A. III; Lummiss, Justin A.M.; Jaworski, Jonathan N.; Breen, Christopher P.; Schultz, Victor; Hart, Travis; Fishman, Joshua S.; Rogers, Luke; Gao, Hanyu; Hicklin, Robert W.; Plehiers, Pieter P.; Byington, Joshua; Piotti, John S.; Green, William H.; Hart, A. John; Jamison, Timothy F.; Jensen, Klavs F.


Expand All Collapse All


Article 2

Application and comparison of derivative-free optimization algorithms to control and optimize free radical polymerization simulated using the kinetic Monte Carlo method
Computers and Chemical Engineering, v. 108, January 2018, p. 268-275
Gao, Hanyu; Waechter, Andreas; Konstantinov, Ivan A.; Arturo, Steven G.; Broadbelt, Linda J.
Using Machine Learning to Predict Suitable Conditions for Organic Reactions
ACS Central Science, v. 4 , (11), November 2018, p. 1465-1476
Gao, Hanyu; Struble, Thomas J.; Coley, Connor W.; Wang, Yuran; Green, William H.; Jensen, Klavs F.


Expand All Collapse All


Article 2

Acceleration of kinetic monte carlo simulations of free radical copolymerization: A hybrid approach with scaling
AIChE Journal, v. 63, (9), September 2017, p. 4013-4021
Gao, Hanyu; Broadbelt, Linda J.; Konstantinov, Ivan A.; Arturo, Steven G.
On the modeling of number and weight average molecular weight of polymers
Chemical Engineering Journal, v. 327, November 2017, p. 906-913
Gao, Hanyu; Konstantinov, Ivan A.; Arturo, Steven G.; Broadbelt, Linda J.


Expand All Collapse All


Article 1

A Combined Computational and Experimental Study of Copolymerization Propagation Kinetics for 1-Ethylcyclopentyl methacrylate and Methyl methacrylate
Macromolecular Theory and Simulations, v. 25, (3), May 2016, p. 263-273
Zhang, Guozhen; Zhang, Lanhe; Gao, Hanyu; Konstantinov, Ivan A.; Arturo, Steven G.; Yu, Decai; Torkelson, John M.; Broadbelt, Linda J.


Expand All Collapse All


Article 1

Acceleration of Kinetic Monte Carlo Method for the Simulation of Free Radical Copolymerization through Scaling
Industrial and Engineering Chemistry Research, v. 54, (48), October 2015, p. 11975-11985
Gao, Hanyu; Oakley, Lindsay H.; Konstantinov, Ivan A.; Arturo, Steven G.; Broadbelt, Linda J.


Expand All Collapse All


Article 1

Design of Copolymers Based on Sequence Distribution for a Targeted Molecular Weight and Conversion
Macromolecular Theory and Simulations, v. 23, (9), November 2014, p. 564-574
Regatte, Venkat Reddy; Gao, Hanyu; Konstantinov, Ivan A.; Arturo, Steven G.; Broadbelt, Linda J.

Conference paper 1

Modeling and optimization of a two-stage MOF-based pressure/vacuum swing adsorption process coupled with material selection
Chemical Engineering Transactions, v. 39, 2014, p. 277-282
Leperi, Karson; Gao, Hanyu; Snurr, Randall Q.; You, Fengqi


Expand All Collapse All


2016 1

A Combined Computational and Experimental Study of Copolymerization Propagation Kinetics for 1-Ethylcyclopentyl methacrylate and Methyl methacrylate
Macromolecular Theory and Simulations, v. 25, (3), May 2016, p. 263-273
Zhang, Guozhen; Zhang, Lanhe; Gao, Hanyu; Konstantinov, Ivan A.; Arturo, Steven G.; Yu, Decai; Torkelson, John M.; Broadbelt, Linda J. Article

2015 1

Acceleration of Kinetic Monte Carlo Method for the Simulation of Free Radical Copolymerization through Scaling
Industrial and Engineering Chemistry Research, v. 54, (48), October 2015, p. 11975-11985
Gao, Hanyu; Oakley, Lindsay H.; Konstantinov, Ivan A.; Arturo, Steven G.; Broadbelt, Linda J. Article

2014 2

Design of Copolymers Based on Sequence Distribution for a Targeted Molecular Weight and Conversion
Macromolecular Theory and Simulations, v. 23, (9), November 2014, p. 564-574
Regatte, Venkat Reddy; Gao, Hanyu; Konstantinov, Ivan A.; Arturo, Steven G.; Broadbelt, Linda J. Article
Modeling and optimization of a two-stage MOF-based pressure/vacuum swing adsorption process coupled with material selection
Chemical Engineering Transactions, v. 39, 2014, p. 277-282
Leperi, Karson; Gao, Hanyu; Snurr, Randall Q.; You, Fengqi Conference paper


No Publications






Teaching Assignment

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2021-22 Winter 0 2021-22 Fall 1 2020-21 Summer 0 2020-21 Spring 0 2020-21 Winter 0 2020-21 Fall 0

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CENG5100 Advanced Reaction Engineering


No Teaching Assignments


No Teaching Assignments


No Teaching Assignments


No Teaching Assignments


No Teaching Assignments






Research Postgraduate (RPG) Supervision From January 2019 to December 2022 (As of 30 January 2022)

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Current RPGs

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Doctor of Philosophy FANG, Yue
Chemical and Biomolecular Engineering( 2021 - )









ProjectsFrom January 2020 to December 2022

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