Haibin SU (蘇海斌) Theoretical & Computational Chemistry Lab. Department of Chemistry Room 4540, Lifts 25/26 The Hong Kong University of Science and Technology Clear Water Bay, Hong Kong, China Phone: (852) 2358-7388 Fax: (852) 2358-1594 E-mail: haibinsu@ust.hk

Biography:

• PostDoc, California Institute of Technology (2002-2005)
• PhD, State University of New York at Stony Brook (2002)

Teaching:

• CHEM 2409 Mathematical Methods for Physical Chemistry
• CHEM 3420 Physical Chemistry II
• CHEM 4210 Solid State Chemistry
• CHEM 4420 Statistical Machine Learning Methods for Chemical Data Analysis
• CHEM 5210 Computational Chemistry
• CHEM 5230 Quantum Chemistry

Research:

Development and application of quantum-mechanical, classical, and deep learning accelerated simulations
of electronic, structural, energetic and dynamical properties from molecular compounds to complex systems;
Emergent collective phenomena, properties and functions of condensed matter systems.

Recent Partial Publications: (Preprints available upon request; Full List of Publications at ORCID)

(Authors’names, as shown in officially printed publications, are not listed here for clarity.)

• “Tri-system integration in metal-oxide nanocomposites via in-situ solution-processed method for ultrathin flexible transparent electrodes”
  Nature Comm. 15, 2070 (2024) (journal copy)
• “Two-Stage Dynamic Transformation from δ- to α-CsPbI3”
  J. Phys. Chem. Lett. 15, 2228 (2024) (journal copy)
• “Topology induced crossover between Langevin, subdiffusion, and Brownian diffusion regimes in supercooled water”
  Phys. Chem. Chem. Phys. 25, 10353 (2023) (journal copy)
• “Bridging Ribosomal Synthesis to Cell Growth through the Lens of Kinetics”
  Biophys. J. 122, 544 (2023) (journal copy)
• “A Tale of Water Molecules in the Ribosomal Peptidyl Transferase Reaction”
  Biochem. 61, 2241 (2022) (journal copy)
• “Barrierless Exciton Self-trapping and Emission Mechanism in Low Dimensional Copper Halides”
  Adv. Funct. Mater.32, 2207638 (2022) (journal copy)
• “Molecular Insights into Small-Molecule Drug Discovery for SARS-CoV-2”
  Angew. Chem. Int. Ed. 60, 9789 (2021) (journal copy)
• “Generalization of Langevin Dynamics from Spatio-Temporal Dressed Dynamics Perspective”
  J. Phys. Chem. A 124, 3269 (2020) (journal copy)
• “Unraveling Dynamic Transitions in Time-Resolved Biomolecular Motions by A Dressed Diffusion Model”
  J. Phys. Chem. A 124, 613 (2020) (journal copy)
• “Method to extract multiple states in F₁-ATPase rotation experiments from jump distributions”
  Proc. Nat. Acad. Sci. 116, 25456 (2019) (journal copy)
• “Theoretical Modeling, Facile Fabrication, and Experimental Study of Optimally Bound Bilirubin Oxidase on Palladium Nanoparticles for Enhanced Oxygen Reduction Reaction”
  ACS Catalysis 8, 4950 (2018) (journal copy)
• “Pseudo-topotacticconversion of carbon nanotubes to T-carbon nanowires under picosecond laser irradiation in methanol”
  Nature Comm. 8, 683 (2017) (journal copy)
• “Phosphorene: from theory to applications”
  Nat. Rev. Mat. 1, 16061 (2016) (journal copy)
• “Theoretical Modelling and Facile Synthesis of Highly Active B-doped Pd Catalyst for Oxygen Reduction Reaction”
  Angew. Chem. Int. Ed. 55, 6842 (2016) (journal copy)
• “Fast killing and self-gelling antimicrobial imidazolium oligomers: a structure-property-activity relationship study”
  Small 12, 1928 (2016) (journal copy)
• “Direct Observation of Platinum Nanoring Assembly in Solution”
  Nano Lett. 16, 1092 (2016) (journal copy)
• “Excitonic Character in Optical Properties of Tetrahedral CdX(X=S, Se, Te) Clusters”
  J. Phys. Chem. C 119, 29171 (2015) (journal copy)
• “Vibrational spectrum renormalization across van der Waals gap by enforced inter hetero-bilayer coupling”
  Phys. Rev. B 92, 241408 (2015) (journal copy)
• “Orbital-dependent electron-hole interaction inexcitonic states in graphene and associated multilayer structures” 
  Scientific Rep. 5, 17337 (2015) (journal copy)
• “Elucidating the role of disorder and free-carrier recombination kinetics in the performance of CH₃NH₃PbI₃ perovskite films”
  Nature Comm. 6, 7903 (2015) (journal copy)
• “Bonding Pathways of Gold Nanocrystals in Solution”
  Nano Lett. 14, 6639 (2014) (journal copy)
• “Computed and Experimental Absorption Spectra of the Perovskite CH₃NH₃PbI₃”
  J. Phys. Chem. Lett. 5, 3061 (2014) (journal copy)
• “Exciton Characteristics in Graphene Epoxide”
  ACS Nano 8, 1284 (2014) (journal copy)
• “Excitonic Photoluminescence in Near-Infrared Region from Carbon Nanodisc States within Graphene Oxides”
  J. Phys. Chem. Lett. 5, 1754 (2014) (journal copy)
• “Merging of Metal Nanoparticles Driven by Selective Wettability of Silver Nanostructures”
  Nature Comm.5, 2994 (2014) (journal copy)
• “Textured fluorapatite bonded to calcium sulphate strengthen stomatopod raptorial appendages&rddquo;
  Nature Comm. 5, 3187 (2014) (journal copy)
• “Pits confined in ultrathincerium(IV) oxide for understanding catalytic centers in carbon monoxide oxidation”
  Nature Comm. 4, 2899 (2013) (journal copy)
• “Electronic reconstruction and surface two-dimensional electron gas in a polarized heterostructure with a hole doped single copper-oxygen plane”
  Phys. Rev. B 87, 205116 (2013) (journal copy)
• “The structural and bonding evolution in cysteine–gold cluster complexes”
  Phys. Chem. Chem. Phys., 15, 1690 (2013) (journal copy)
• “The transport properties of oxygen vacancy-relatedpolaron-like bound state in HfO_2-x”
  Scientific Reports 3, 3246 (2013) (journal copy)
• “Transport Properties of HfO_2-xbased Resistive-Switching Memories”
  Phys. Rev. B 85, 195322 (2012) (journal copy)
• “A stable solution-processed polymer semiconductor with record high-mobility for printed transistors”
  Scientific Reports 2, 754 (2012) (journal copy)
• “Three-Stage-Transformation Pathway fromNanodiamonds to Fullerenes”
  J. Phys. Chem. A 115, 8327 (2011) (journal copy)
• “Scaling of Excitons in Graphene Nanoribbons with Armchair Shaped Edges”
  J. Phys. Chem. A 115,11998(2011) (journal copy)
• “Excitons of Edge and Surface Functionalized Graphene Nanoribbons”
  J. Phys. Chem. C 114, 17257(2010) (journal copy)

Hong Kong PhD Fellowship Scheme

The applicants of PhD program with outstanding academic records are encouraged to apply for the prestigious Hong Kong PhD Fellowship.
Established by the Research Grants Council (RGC) of Hong Kong in 2009, the Hong Kong PhD Fellowship Scheme (HKPFS) aims at attracting
the best and brightest students in the world to pursue their PhD studies in Hong Kong's institutions.

Office of Postgraduate Studies @ HKUST

Welcome Undergraduate Students / Exchange Students

Awards won by UG students of our group:

• Alvin LEUNG Cheuk Fung: the First Runner-Up of Kerry Holdings Limited UROP Award 2024
• Yizhou WANG: Chemistry Undergraduate Academic Excellence Award 2023
• Shan Qi YAP: the First Runner-Up of Mr. Armin & Mrs. Lillian Kitchell UROP Award 2022
• Timothy MA Wing Yin: the Finalist of Mr. Armin & Mrs. Lillian Kitchell UROP Award 2021

To inquirer / applicant:

Due to the high volume of application inquiries we receive, only short-listed candidates will be contacted. Thank you for your understanding.

HK Map

Disclaimer:

Opinions expressed on this page are my own and not those of the University.

Last modified: Tues. May 2, 2024.