Ding PAN
潘鼎
DSc in Condensed Matter Physics
Chinese Academy of Sciences, 2011

Assistant Professor
Department of Physics
Department of Chemistry



(852) 2358 8896
dingpan@ust.hk
Room 4479
Personal Web

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Google Scholar
Ke02GisAAAAJ

ORCID
0000-0002-2353-0130

ResearcherID
D-9325-2011

Scopus ID
36485173300




Research Interest Publications Projects Teaching Assignment RPG Supervision Space used




Research Interest

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Computational materials science
Physical chemistry
Chemical physics
Water science
Deep carbon cycle
Clean energy



Publications

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All Years 42 2022 1 2021 3 2020 5 2019 5 2018 5 2017 1 2016 22

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2022 1

Raman Spectra Of Hydrocarbons Under Extreme Conditions Of Pressure And Temperature: A First-Principles Study
Journal of Physics D-Applied Physics, v. 55, (4), 22 October 2021, article number 044003
Hou, Rui; Pan, Ding Article

2021 3

Role of Topological Surface States and Mirror Symmetry in Topological Crystalline Insulator SnTe as an Efficient Electrocatalyst
Nanoscale, v. 13, (43), 27 October 2021, p. 18160-18172
Qu, Qing; Liu, Bin; Liu, Hongtao; Liang, Jing; Wang, Jiannong; Pan, Ding; Sou, Iam Keong Article
The Lightest 2D Nanomaterial: Freestanding Ultrathin Li Nanosheets by In Situ Nanoscale Electrochemistry
Small, 1 July 2021, article number 2101641
Sun, Muhua; Stolte, Nore; Wang, Jianlin; Wei, Jiake; Chen, Pan; Xu, Zhi; Wang, Wenlong; Pan, Ding; Bai, Xuedong Article
Water-Gas Shift Reaction Produces Formate at Extreme Pressures and Temperatures in Deep Earth Fluids
Journal of Physical Chemistry Letters, v. 12, (17), May 2021, p. 4292-4298
Stolte, Nore; Yu, Junting; Chen, Zixin; Sverjensky, Dimitri A.; Pan, Ding Article

2020 5

A first principles method to determine speciation of carbonates in supercritical water
Nature Communications, v. 11, (1), January 2020, article number 421
Pan, Ding; Galli, Giulia Article
Dielectric constant of supercritical water in a large pressure-temperature range
Journal of Chemical Physics, v. 153, (10), 14 September 2020, article number 101103
Hou, Rui; Quan, Yuhui; Pan, Ding Article
Discriminating High-Pressure Water Phases Using Rare-Event Determined Ionic Dynamical Properties
Chinese Physics Letters, v. 37, (4), April 2020, article number 043101
Zhuan, Lin; Ye, Qijun; Pan, Ding; Li, Xin-Zheng Article
Expediting Hydrogen Evolution through Topological Surface States on Bi₂Te₃
ACS Catalysis, v. 10, (4), February 2020, p. 2656-2666
Qu, Qing; Liu, Bin; Liang, Jing; Li, Hui; Wang, Jiannong; Pan, Ding; Sou, Iam Keong Article
Tuning the Performance of Aqueous Organic Redox Flow Batteries via First-Principles Calculations
Journal of Physical Chemistry Letters, v. 11, (24), December 2020, p. 10433-10438
Yu, Junting; Zhao, Tianshou; Pan, Ding Article

2019 5

Aqueous Proton-selective Conduction Across Two-dimensional Graphyne
Nature Communications, v. 10, (1), March 2019, article number 1165
Shi, Le; Xu, Ao; Pan, Ding; Zhao, Tianshou Article
Effects of Hexagonal Boron Nitride Encapsulation on the Electronic Structure of Few-Layer MoS₂
Journal of Physical Chemistry C, v. 123, (23), June 2019, p. 14797-14802
Han, Xu; Lin, Jiangxiazi; Liu, Junwei; Wang, Ning; Pan, Ding Article
Interface charge-transfer induced intralayer excited-state biexcitons in graphene/WS₂ van der Waals heterostructures
Nanoscale, v. 11, (28), July 2019, p. 13552-13557
Li, Yang; Stolte, Nore; Li, Baikui; Li, Hui; Cheng, Guanghui; Pan, Ding; Wang, Jiannong Article
Intramolecular π-stacked Perylene-diimide Acceptors for Non-fullerene Organic Solar Cells
Journal of Materials Chemistry A, v. 7, (14), April 2019, p. 8136-8143
Zhang, Jianquan; Bai, Fujin; Li, Yunke; Hu, Huawei; Liu, Bin; Zou, Xinhui; Yu, Han; Huang, Jiachen; Pan, Ding; Ade, Harald W.; Yan, He Article
Large Presence of Carbonic Acid in CO₂-Rich Aqueous Fluids under Earth’s Mantle Conditions
Journal of Physical Chemistry Letters, v. 10, (17), September 2019, p. 5135-5141
Stolte, Nore; Pan, Ding Article

2018 5

Ab Initio Spectroscopy and Ionic Conductivity of Water Under Earth Mantle Conditions
Proceedings of the National Academy of Sciences of the United States of America, v. 115, (27), July 2018, p. 6952-6957
Rozsa, Viktor; Pan, Ding; Giberti, Federico; Galli, Giulia Article
Bandgap Engineering of InSe Single Crystals through S Substitution
Crystal Growth and Design, v. 18, (5), May 2018, p. 2899-2904
Li, Hui; Han, Xu; Pan, Ding; Yan, Xin; Wang, Huanwen; Wu, Changming; Cheng, Guanghui; Zhang, Huachen; Yang, Shuo; Li, Baikui; He, Hongtao; Wang, Jiannong Article
Carboxylate Substitution Position Influencing Polymer Properties and Enabling Non-fullerene Organic Solar Cells With High Open Circuit Voltage and Low Voltage Loss
Journal of Materials Chemistry A, v. 6, (35), September 2018, p. 16874-16881
Liu, Jingjing; Ma, Lik Kuen; Sheong, Fu Kit; Zhang, Lin; Hu, Huawei; Zhang, Jingxuan; Zhang, Jianquan; Li, Zhengke; Ma, Chao; Han, Xu; Pan, Ding; Ade, Harald; Ma, Wei; Yan, He Article
Communication: Dielectric properties of condensed systems composed of fragments
Journal of Chemical Physics, v. 149, (5), August 2018, article number 051101
Pan, Ding; Govoni, Marco; Galli, Giulia A. Article
Sterically Controlled Mechanochemistry Under Hydrostatic Pressure
Nature, v. 554, (7693), February 2018, p. 505-510
Yan, Hao; Yang, Fan; Pan, Ding; Lin, Yu; Hohman, J. Nathan; Solis-ibarra, Diego; Li, Fei Hua; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Tkachenko, Boryslav A.; Fokin, Andrey A.; Schreiner, Peter R.; Galli, Giulia; Mao, Wendy L.; Shen, Zhi-Xun; Melosh, Nicholas A. Article

2017 1

Ring-Fusion of Perylene Diimide Acceptor Enabling Efficient Nonfullerene Organic Solar Cells with a Small Voltage Loss
Journal of the American Chemical Society, v.139, (45), November 2017, p. 16092-16095
Zhang, Jianquan; Li, Yunke; Huang, Jiachen; Hu, Huawei; Zhang, Guangye; Ma, Tingxuan; Chow, Chi Yung Philip; Ade, Harald; Pan, Ding; Yan, He Article

2016 3

The fate of carbon dioxide in water-rich fluids under extreme conditions
Science Advances, v. 2, (10), October 2016, e1601278
Pan, Ding; Galli, Giulia Article
Ab initio Raman spectroscopy of water under extreme conditions
APS March Meeting 2016, Baltimore, Maryland, 14-18 March 2016
Rozsa, Viktor; Pan, Ding; Wan, Quan; Galli, Giulia A. Conference paper
Dissolved carbon in extreme conditions characterized by first principles simulations
APS March Meeting 2016, Baltimore, Maryland, 14-18 May 2016
Pan, Ding; Galli, Giulia A. Conference paper

2015 2

Tetrahedrally coordinated carbonates in Earth’s lower mantle
Nature Communications, v. 6, February 2015, article number 6311
Boulard, Eglantine; Pan, Ding; Galli, Giulia A.; Liu, Zhenxian; Mao, Wendy L. Article
Tetrahedrally bonded carbonates and aqueous carbonate anions under extreme conditions
Bulletin of the American Physical Society, v. 60, (1), March 2015, Session W25, W25.00009
Pan, Ding; Galli, Giulia A. Conference paper

2014 2

The refractive index and electronic gap of water and ice increase with increasing pressure
Nature Communications, v. 5, May 2014, article number 3919
Pan, Ding; Wan, Quan; Galli, Giulia A. Article
Dielectric Properties of Water under Extreme Conditions
Bulletin of the American Physical Society, v. 59, (1), March 2014
Pan, Ding Conference paper

2013 6

A Closer Look at Supercritical Water
Proceedings of the National Academy of Sciences of the United States of America, v. 110, (16), April 2013, p. 6250-6251
Galli, Giulia A.; Pan, Ding Article
Dielectric properties of water under extreme conditions and transport of carbonates in the deep Earth
Proceedings of the National Academy of Sciences of the United States of America, v. 110, (17), April 2013, p. 6646-6650
Pan, Ding; Spanu, Leonardo; Harrison, Brandon; Sverjensky, Dimitri A.; Galli, Giulia A. Article
Synthesis of Nitrogen-doped Single-walled Carbon Nanotubes and Monitoring of Doping by Raman Spectroscopy
Chinese Physics B, v. 22, (8), August 2013, article number 086101
Wu, Mu-Hong; Li, Xiao; Pan, Ding; Liu, Lei; Yang, Xiao-Xia; Xu, Zhi; Wang, Wen-Long; Sui, Yu; Bai, Xue-Dong Article
冰表面结构及其物理特性的新探索
Scientia Sinica Physica, Mechanica & Astronomica, v. 43, (10), 2013, p. 1140-1150
Pan, Ding; Wang, Ee Ge; Sun, Zhaoru; Xu, Limei Article
Dielectric Properties of Water under Extreme Conditions
CPMD meeting, Leipzig, Germany, 2 - 6 September 2013
Pan, Ding; Spanu, Leonardo; Harrison, Brandon; Sverjensky, Dimitri A.; Galli, Giulia A. Conference paper
Dielectric Properties of Water under Pressure and Solubility of Minerals in the Earth’s Mantle
2013 MRS Spring Meeting, San Francisco, CA, USA, 1 - 5 April 2013
Pan, Ding Conference paper

2012 2

Dispersion of single walled carbon nanotubes in amidine solvents
Nanotechnology, v. 23, (34), 2012, August, Article number 344011
Barman, Soumendra N.; Pan, Ding; Vosgueritchian, Michael; Zoombelt, Arjan Pieter; Galli, Giulia A.; Bao, Zhenan Zhenan Article
Role of proton ordering in adsorption preference of polar molecule on ice surface
Proceedings of the National Academy of Sciences of the United States of America, v. 109, (33), 2012, August, p. 13177-13181
Sun, Zhaoru; Pan, Ding; Xu, Limei; Wang, Ee Ge Article

2011 3

Acetone adsorption on ice investigated by x-ray spectroscopy and density functional theory
Physical Chemistry Chemical Physics, v. 13, (44), 2011, November, p. 19988-19996
Starr, David E.; Pan, Ding; Newberg, John T.; Ammann, Markus; Wang, Ee Ge; Michaelides, Angelos; Bluhm, Hendrik Article
Large variation of vacancy formation energies in the surface of crystalline ice
Nature Materials, v. 10, (10), 2011, Oct, p. 794-798
Watkins, Matthew Benjamin; Pan, Ding; Wang, Ee Ge; Michaelides, Angelos; Slater, Ben J.; VandeVondele, Joost Article
Melting the ice: On the relation between melting temperature and size for nanoscale ice crystals
ACS Nano, v. 5, (6), 2011, June, p. 4562-4569
Pan, Ding; Liu, Limin; Slater, Ben J.; Michaelides, Angelos; Wang, Ee Ge Article

2010 1

Surface energy and surface proton order of the ice ih basal and prism surfaces
Journal of Physics Condensed Matter, v. 22, (7), 2010, February, Article number 074209
Pan, Ding; Liu, Limin; Tribello, Gareth A.; Slater, Ben J.; Michaelides, Angelos; Wang, Ee Ge Article

2008 2

On thin ice: surface order and disorder during pre-melting
Faraday Discussions, v. 141, 2008, p. 277-292
Bishop, Clare L.; Pan, Ding; Liu, Limin; Tribello, Gareth A.; Michaelides, Angelos; Wang, Ee Ge; Slater, Ben J. Article
Surface energy and surface proton order of ice ih
Physical Review Letters, v. 101, (15), 2008, Oct, Article number 155703
Pan, Ding; Liu, Limin; Tribello, Gareth A.; Slater, Ben J.; Michaelides, Angelos; Wang, Ee Ge Article

2006 1

Influence of gouy phase shift on thz time- domain spectroscopy
IRMMW-THz 2006 - 31st International Conference on Infrared and Millimeter Waves and 14th International Conference on Terahertz Electronics, 2006, Article number 4222489, p. 547
Yang, Yuping; Zhang, Zhenwei; Pan, Ding; Wang, Li Conference paper


Expand All Collapse All


Article 1

Raman Spectra Of Hydrocarbons Under Extreme Conditions Of Pressure And Temperature: A First-Principles Study
Journal of Physics D-Applied Physics, v. 55, (4), 22 October 2021, article number 044003
Hou, Rui; Pan, Ding


Expand All Collapse All


Article 3

Role of Topological Surface States and Mirror Symmetry in Topological Crystalline Insulator SnTe as an Efficient Electrocatalyst
Nanoscale, v. 13, (43), 27 October 2021, p. 18160-18172
Qu, Qing; Liu, Bin; Liu, Hongtao; Liang, Jing; Wang, Jiannong; Pan, Ding; Sou, Iam Keong
The Lightest 2D Nanomaterial: Freestanding Ultrathin Li Nanosheets by In Situ Nanoscale Electrochemistry
Small, 1 July 2021, article number 2101641
Sun, Muhua; Stolte, Nore; Wang, Jianlin; Wei, Jiake; Chen, Pan; Xu, Zhi; Wang, Wenlong; Pan, Ding; Bai, Xuedong
Water-Gas Shift Reaction Produces Formate at Extreme Pressures and Temperatures in Deep Earth Fluids
Journal of Physical Chemistry Letters, v. 12, (17), May 2021, p. 4292-4298
Stolte, Nore; Yu, Junting; Chen, Zixin; Sverjensky, Dimitri A.; Pan, Ding


Expand All Collapse All


Article 5

A first principles method to determine speciation of carbonates in supercritical water
Nature Communications, v. 11, (1), January 2020, article number 421
Pan, Ding; Galli, Giulia
Dielectric constant of supercritical water in a large pressure-temperature range
Journal of Chemical Physics, v. 153, (10), 14 September 2020, article number 101103
Hou, Rui; Quan, Yuhui; Pan, Ding
Discriminating High-Pressure Water Phases Using Rare-Event Determined Ionic Dynamical Properties
Chinese Physics Letters, v. 37, (4), April 2020, article number 043101
Zhuan, Lin; Ye, Qijun; Pan, Ding; Li, Xin-Zheng
Expediting Hydrogen Evolution through Topological Surface States on Bi₂Te₃
ACS Catalysis, v. 10, (4), February 2020, p. 2656-2666
Qu, Qing; Liu, Bin; Liang, Jing; Li, Hui; Wang, Jiannong; Pan, Ding; Sou, Iam Keong
Tuning the Performance of Aqueous Organic Redox Flow Batteries via First-Principles Calculations
Journal of Physical Chemistry Letters, v. 11, (24), December 2020, p. 10433-10438
Yu, Junting; Zhao, Tianshou; Pan, Ding


Expand All Collapse All


Article 5

Aqueous Proton-selective Conduction Across Two-dimensional Graphyne
Nature Communications, v. 10, (1), March 2019, article number 1165
Shi, Le; Xu, Ao; Pan, Ding; Zhao, Tianshou
Effects of Hexagonal Boron Nitride Encapsulation on the Electronic Structure of Few-Layer MoS₂
Journal of Physical Chemistry C, v. 123, (23), June 2019, p. 14797-14802
Han, Xu; Lin, Jiangxiazi; Liu, Junwei; Wang, Ning; Pan, Ding
Interface charge-transfer induced intralayer excited-state biexcitons in graphene/WS₂ van der Waals heterostructures
Nanoscale, v. 11, (28), July 2019, p. 13552-13557
Li, Yang; Stolte, Nore; Li, Baikui; Li, Hui; Cheng, Guanghui; Pan, Ding; Wang, Jiannong
Intramolecular π-stacked Perylene-diimide Acceptors for Non-fullerene Organic Solar Cells
Journal of Materials Chemistry A, v. 7, (14), April 2019, p. 8136-8143
Zhang, Jianquan; Bai, Fujin; Li, Yunke; Hu, Huawei; Liu, Bin; Zou, Xinhui; Yu, Han; Huang, Jiachen; Pan, Ding; Ade, Harald W.; Yan, He
Large Presence of Carbonic Acid in CO₂-Rich Aqueous Fluids under Earth’s Mantle Conditions
Journal of Physical Chemistry Letters, v. 10, (17), September 2019, p. 5135-5141
Stolte, Nore; Pan, Ding


Expand All Collapse All


Article 5

Ab Initio Spectroscopy and Ionic Conductivity of Water Under Earth Mantle Conditions
Proceedings of the National Academy of Sciences of the United States of America, v. 115, (27), July 2018, p. 6952-6957
Rozsa, Viktor; Pan, Ding; Giberti, Federico; Galli, Giulia
Bandgap Engineering of InSe Single Crystals through S Substitution
Crystal Growth and Design, v. 18, (5), May 2018, p. 2899-2904
Li, Hui; Han, Xu; Pan, Ding; Yan, Xin; Wang, Huanwen; Wu, Changming; Cheng, Guanghui; Zhang, Huachen; Yang, Shuo; Li, Baikui; He, Hongtao; Wang, Jiannong
Carboxylate Substitution Position Influencing Polymer Properties and Enabling Non-fullerene Organic Solar Cells With High Open Circuit Voltage and Low Voltage Loss
Journal of Materials Chemistry A, v. 6, (35), September 2018, p. 16874-16881
Liu, Jingjing; Ma, Lik Kuen; Sheong, Fu Kit; Zhang, Lin; Hu, Huawei; Zhang, Jingxuan; Zhang, Jianquan; Li, Zhengke; Ma, Chao; Han, Xu; Pan, Ding; Ade, Harald; Ma, Wei; Yan, He
Communication: Dielectric properties of condensed systems composed of fragments
Journal of Chemical Physics, v. 149, (5), August 2018, article number 051101
Pan, Ding; Govoni, Marco; Galli, Giulia A.
Sterically Controlled Mechanochemistry Under Hydrostatic Pressure
Nature, v. 554, (7693), February 2018, p. 505-510
Yan, Hao; Yang, Fan; Pan, Ding; Lin, Yu; Hohman, J. Nathan; Solis-ibarra, Diego; Li, Fei Hua; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Tkachenko, Boryslav A.; Fokin, Andrey A.; Schreiner, Peter R.; Galli, Giulia; Mao, Wendy L.; Shen, Zhi-Xun; Melosh, Nicholas A.


Expand All Collapse All


Article 1

Ring-Fusion of Perylene Diimide Acceptor Enabling Efficient Nonfullerene Organic Solar Cells with a Small Voltage Loss
Journal of the American Chemical Society, v.139, (45), November 2017, p. 16092-16095
Zhang, Jianquan; Li, Yunke; Huang, Jiachen; Hu, Huawei; Zhang, Guangye; Ma, Tingxuan; Chow, Chi Yung Philip; Ade, Harald; Pan, Ding; Yan, He


Expand All Collapse All


Article 1

The fate of carbon dioxide in water-rich fluids under extreme conditions
Science Advances, v. 2, (10), October 2016, e1601278
Pan, Ding; Galli, Giulia

Conference paper 2

Ab initio Raman spectroscopy of water under extreme conditions
APS March Meeting 2016, Baltimore, Maryland, 14-18 March 2016
Rozsa, Viktor; Pan, Ding; Wan, Quan; Galli, Giulia A.
Dissolved carbon in extreme conditions characterized by first principles simulations
APS March Meeting 2016, Baltimore, Maryland, 14-18 May 2016
Pan, Ding; Galli, Giulia A.


Expand All Collapse All


Article 1

Tetrahedrally coordinated carbonates in Earth’s lower mantle
Nature Communications, v. 6, February 2015, article number 6311
Boulard, Eglantine; Pan, Ding; Galli, Giulia A.; Liu, Zhenxian; Mao, Wendy L.

Conference paper 1

Tetrahedrally bonded carbonates and aqueous carbonate anions under extreme conditions
Bulletin of the American Physical Society, v. 60, (1), March 2015, Session W25, W25.00009
Pan, Ding; Galli, Giulia A.


Expand All Collapse All


Article 1

The refractive index and electronic gap of water and ice increase with increasing pressure
Nature Communications, v. 5, May 2014, article number 3919
Pan, Ding; Wan, Quan; Galli, Giulia A.

Conference paper 1

Dielectric Properties of Water under Extreme Conditions
Bulletin of the American Physical Society, v. 59, (1), March 2014
Pan, Ding


Expand All Collapse All


Article 4

A Closer Look at Supercritical Water
Proceedings of the National Academy of Sciences of the United States of America, v. 110, (16), April 2013, p. 6250-6251
Galli, Giulia A.; Pan, Ding
Dielectric properties of water under extreme conditions and transport of carbonates in the deep Earth
Proceedings of the National Academy of Sciences of the United States of America, v. 110, (17), April 2013, p. 6646-6650
Pan, Ding; Spanu, Leonardo; Harrison, Brandon; Sverjensky, Dimitri A.; Galli, Giulia A.
Synthesis of Nitrogen-doped Single-walled Carbon Nanotubes and Monitoring of Doping by Raman Spectroscopy
Chinese Physics B, v. 22, (8), August 2013, article number 086101
Wu, Mu-Hong; Li, Xiao; Pan, Ding; Liu, Lei; Yang, Xiao-Xia; Xu, Zhi; Wang, Wen-Long; Sui, Yu; Bai, Xue-Dong
冰表面结构及其物理特性的新探索
Scientia Sinica Physica, Mechanica & Astronomica, v. 43, (10), 2013, p. 1140-1150
Pan, Ding; Wang, Ee Ge; Sun, Zhaoru; Xu, Limei

Conference paper 2

Dielectric Properties of Water under Extreme Conditions
CPMD meeting, Leipzig, Germany, 2 - 6 September 2013
Pan, Ding; Spanu, Leonardo; Harrison, Brandon; Sverjensky, Dimitri A.; Galli, Giulia A.
Dielectric Properties of Water under Pressure and Solubility of Minerals in the Earth’s Mantle
2013 MRS Spring Meeting, San Francisco, CA, USA, 1 - 5 April 2013
Pan, Ding


Expand All Collapse All


Article 2

Dispersion of single walled carbon nanotubes in amidine solvents
Nanotechnology, v. 23, (34), 2012, August, Article number 344011
Barman, Soumendra N.; Pan, Ding; Vosgueritchian, Michael; Zoombelt, Arjan Pieter; Galli, Giulia A.; Bao, Zhenan Zhenan
Role of proton ordering in adsorption preference of polar molecule on ice surface
Proceedings of the National Academy of Sciences of the United States of America, v. 109, (33), 2012, August, p. 13177-13181
Sun, Zhaoru; Pan, Ding; Xu, Limei; Wang, Ee Ge


Expand All Collapse All


Article 3

Acetone adsorption on ice investigated by x-ray spectroscopy and density functional theory
Physical Chemistry Chemical Physics, v. 13, (44), 2011, November, p. 19988-19996
Starr, David E.; Pan, Ding; Newberg, John T.; Ammann, Markus; Wang, Ee Ge; Michaelides, Angelos; Bluhm, Hendrik
Large variation of vacancy formation energies in the surface of crystalline ice
Nature Materials, v. 10, (10), 2011, Oct, p. 794-798
Watkins, Matthew Benjamin; Pan, Ding; Wang, Ee Ge; Michaelides, Angelos; Slater, Ben J.; VandeVondele, Joost
Melting the ice: On the relation between melting temperature and size for nanoscale ice crystals
ACS Nano, v. 5, (6), 2011, June, p. 4562-4569
Pan, Ding; Liu, Limin; Slater, Ben J.; Michaelides, Angelos; Wang, Ee Ge


Expand All Collapse All


Article 1

Surface energy and surface proton order of the ice ih basal and prism surfaces
Journal of Physics Condensed Matter, v. 22, (7), 2010, February, Article number 074209
Pan, Ding; Liu, Limin; Tribello, Gareth A.; Slater, Ben J.; Michaelides, Angelos; Wang, Ee Ge


Expand All Collapse All


Article 2

On thin ice: surface order and disorder during pre-melting
Faraday Discussions, v. 141, 2008, p. 277-292
Bishop, Clare L.; Pan, Ding; Liu, Limin; Tribello, Gareth A.; Michaelides, Angelos; Wang, Ee Ge; Slater, Ben J.
Surface energy and surface proton order of ice ih
Physical Review Letters, v. 101, (15), 2008, Oct, Article number 155703
Pan, Ding; Liu, Limin; Tribello, Gareth A.; Slater, Ben J.; Michaelides, Angelos; Wang, Ee Ge


Expand All Collapse All


Conference paper 1

Influence of gouy phase shift on thz time- domain spectroscopy
IRMMW-THz 2006 - 31st International Conference on Infrared and Millimeter Waves and 14th International Conference on Terahertz Electronics, 2006, Article number 4222489, p. 547
Yang, Yuping; Zhang, Zhenwei; Pan, Ding; Wang, Li


Expand All Collapse All


2016 3

The fate of carbon dioxide in water-rich fluids under extreme conditions
Science Advances, v. 2, (10), October 2016, e1601278
Pan, Ding; Galli, Giulia Article
Ab initio Raman spectroscopy of water under extreme conditions
APS March Meeting 2016, Baltimore, Maryland, 14-18 March 2016
Rozsa, Viktor; Pan, Ding; Wan, Quan; Galli, Giulia A. Conference paper
Dissolved carbon in extreme conditions characterized by first principles simulations
APS March Meeting 2016, Baltimore, Maryland, 14-18 May 2016
Pan, Ding; Galli, Giulia A. Conference paper

2015 2

Tetrahedrally coordinated carbonates in Earth’s lower mantle
Nature Communications, v. 6, February 2015, article number 6311
Boulard, Eglantine; Pan, Ding; Galli, Giulia A.; Liu, Zhenxian; Mao, Wendy L. Article
Tetrahedrally bonded carbonates and aqueous carbonate anions under extreme conditions
Bulletin of the American Physical Society, v. 60, (1), March 2015, Session W25, W25.00009
Pan, Ding; Galli, Giulia A. Conference paper

2014 2

The refractive index and electronic gap of water and ice increase with increasing pressure
Nature Communications, v. 5, May 2014, article number 3919
Pan, Ding; Wan, Quan; Galli, Giulia A. Article
Dielectric Properties of Water under Extreme Conditions
Bulletin of the American Physical Society, v. 59, (1), March 2014
Pan, Ding Conference paper

2013 6

A Closer Look at Supercritical Water
Proceedings of the National Academy of Sciences of the United States of America, v. 110, (16), April 2013, p. 6250-6251
Galli, Giulia A.; Pan, Ding Article
Dielectric properties of water under extreme conditions and transport of carbonates in the deep Earth
Proceedings of the National Academy of Sciences of the United States of America, v. 110, (17), April 2013, p. 6646-6650
Pan, Ding; Spanu, Leonardo; Harrison, Brandon; Sverjensky, Dimitri A.; Galli, Giulia A. Article
Synthesis of Nitrogen-doped Single-walled Carbon Nanotubes and Monitoring of Doping by Raman Spectroscopy
Chinese Physics B, v. 22, (8), August 2013, article number 086101
Wu, Mu-Hong; Li, Xiao; Pan, Ding; Liu, Lei; Yang, Xiao-Xia; Xu, Zhi; Wang, Wen-Long; Sui, Yu; Bai, Xue-Dong Article
冰表面结构及其物理特性的新探索
Scientia Sinica Physica, Mechanica & Astronomica, v. 43, (10), 2013, p. 1140-1150
Pan, Ding; Wang, Ee Ge; Sun, Zhaoru; Xu, Limei Article
Dielectric Properties of Water under Extreme Conditions
CPMD meeting, Leipzig, Germany, 2 - 6 September 2013
Pan, Ding; Spanu, Leonardo; Harrison, Brandon; Sverjensky, Dimitri A.; Galli, Giulia A. Conference paper
Dielectric Properties of Water under Pressure and Solubility of Minerals in the Earth’s Mantle
2013 MRS Spring Meeting, San Francisco, CA, USA, 1 - 5 April 2013
Pan, Ding Conference paper

2012 2

Dispersion of single walled carbon nanotubes in amidine solvents
Nanotechnology, v. 23, (34), 2012, August, Article number 344011
Barman, Soumendra N.; Pan, Ding; Vosgueritchian, Michael; Zoombelt, Arjan Pieter; Galli, Giulia A.; Bao, Zhenan Zhenan Article
Role of proton ordering in adsorption preference of polar molecule on ice surface
Proceedings of the National Academy of Sciences of the United States of America, v. 109, (33), 2012, August, p. 13177-13181
Sun, Zhaoru; Pan, Ding; Xu, Limei; Wang, Ee Ge Article

2011 3

Acetone adsorption on ice investigated by x-ray spectroscopy and density functional theory
Physical Chemistry Chemical Physics, v. 13, (44), 2011, November, p. 19988-19996
Starr, David E.; Pan, Ding; Newberg, John T.; Ammann, Markus; Wang, Ee Ge; Michaelides, Angelos; Bluhm, Hendrik Article
Large variation of vacancy formation energies in the surface of crystalline ice
Nature Materials, v. 10, (10), 2011, Oct, p. 794-798
Watkins, Matthew Benjamin; Pan, Ding; Wang, Ee Ge; Michaelides, Angelos; Slater, Ben J.; VandeVondele, Joost Article
Melting the ice: On the relation between melting temperature and size for nanoscale ice crystals
ACS Nano, v. 5, (6), 2011, June, p. 4562-4569
Pan, Ding; Liu, Limin; Slater, Ben J.; Michaelides, Angelos; Wang, Ee Ge Article

2010 1

Surface energy and surface proton order of the ice ih basal and prism surfaces
Journal of Physics Condensed Matter, v. 22, (7), 2010, February, Article number 074209
Pan, Ding; Liu, Limin; Tribello, Gareth A.; Slater, Ben J.; Michaelides, Angelos; Wang, Ee Ge Article

2008 2

On thin ice: surface order and disorder during pre-melting
Faraday Discussions, v. 141, 2008, p. 277-292
Bishop, Clare L.; Pan, Ding; Liu, Limin; Tribello, Gareth A.; Michaelides, Angelos; Wang, Ee Ge; Slater, Ben J. Article
Surface energy and surface proton order of ice ih
Physical Review Letters, v. 101, (15), 2008, Oct, Article number 155703
Pan, Ding; Liu, Limin; Tribello, Gareth A.; Slater, Ben J.; Michaelides, Angelos; Wang, Ee Ge Article

2006 1

Influence of gouy phase shift on thz time- domain spectroscopy
IRMMW-THz 2006 - 31st International Conference on Infrared and Millimeter Waves and 14th International Conference on Terahertz Electronics, 2006, Article number 4222489, p. 547
Yang, Yuping; Zhang, Zhenwei; Pan, Ding; Wang, Li Conference paper






Teaching Assignment

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2021-22 Winter 0 2021-22 Fall 3 2020-21 Summer 0 2020-21 Spring 3 2020-21 Winter 0 2020-21 Fall 2

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MSDM5001 Introduction to Computational and Modeling Tools
PHYS4080 Physics Seminar and Tutorial II
PHYS5120 Computational Energy Materials and Electronic Structure Simulations


CHEM3420 Physical Chemistry II
CHEM5210 Computational Chemistry
MSDM6980 Computational Modeling and Simulation Project


MSDM5001 Introduction to Computational and Modeling Tools
PHYS5120 Computational Energy Materials and Electronic Structure Simulations


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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All Supervisions Current RPGs Graduated RPGs

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Current RPGs

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Doctor of Philosophy HUANG, Jiajia
Physics( 2021 - )

LIU, Gengxin
Physics( 2021 - )

HAN, Xu
Physics( 2018 - )

HOU, Rui
Physics( 2018 - )

LIU, Bin
Physics( 2018 - )

YU, Junting
Physics( 2018 - )

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Graduated RPGs

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Doctor of Philosophy STOLTE, Nore
Physics( Completed in 2021 )

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Master of Philosophy HUANG, Ziru (co-supervision)
Chemistry( Completed in 2021 )

QUAN, Yuhui
Physics( Completed in 2020 )

CHEN, Zixin
Chemistry( Completed in 2019 )









ProjectsFrom January 2020 to December 2022

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All Projects 11 Leading Projects 7 Participating Projects 4

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Computer simulations of water under Earth's mantle conditions


水在地幔条件下的计算模拟 Leading


RGC - General Research Fund


Project Team (HKUST)
PAN Ding (Lead)


2022 -




Development of High-Performance and Long-Life Alkaline Membrane Fuel Cells


高性能长寿命硷性膜燃料电池的开发 Participating


RGC - Collaborative Research Fund


Project Team (HKUST)
SHAO Minhua (Lead)
GAO Ping
KIM Yoonseob
PAN Ding
ZHAO Tianshou


2021 -




First principles calculations


第一性原理计算 Leading


National Natural Science Foundation of China


Project Team (HKUST)
PAN Ding (Lead)


2021 -




Enhancing the performance of organic photovoltaics by combining GW method, machine learning, and ab initio molecular dynamics


结合GW方法、机器学习和第一性原理分子动力学提升有机光伏电池的性能 Leading


France / Hong Kong Joint Research Scheme


Project Team (HKUST)
PAN Ding (Lead)


2021 -




X-GPU: An Extreme GPU Cluster for Interdisciplinary Research on Molecular Dynamics Simulations and Genomics Studies


X-GPU:一个极高性能的GPU计算集群用於分子动力学模拟和基因组学的跨学科研究 Participating


RGC - Collaborative Research Fund


Project Team (HKUST)
YANG Can (Lead)
HAN Yilong
LUO Qiong
PAN Ding
SANDER Pedro
SU Haibin
WANG Jiguang
YAO Yuan
YU Weichuan


2020 -




Nanophase transition and electronic property modulation in atomically thin transition metal dichalcogenides by reactive oxygen plasma


利用氧等离子体触发纳米相变调控原子级别过渡金属硫族化合物的电学特性 Participating


RGC - General Research Fund


Project Team (HKUST)
WANG Ning (Lead)
LIU Junwei
PAN Ding


2019 -




First-principles study of supercritical aqueous solutions under nanoconfinement


纳米受限条件下超临界水溶液的第一性原理研究 Leading


RGC - General Research Fund


Project Team (HKUST)
PAN Ding (Lead)


2019 - 2021




First-principles studies of carbon in the deep Earth Leading


Croucher Foundation


Project Team (HKUST)
PAN Ding (Lead)


2018 -




In-situ High-resolution Electron Microscopy Study of the Stability of Single-atom Catalysts Supported on Atomically-thin Layered Structures


单原子催化剂在原子级层状载体上的稳定性的原位高分辨电子显微学研究 Participating


RGC - General Research Fund


Project Team (HKUST)
WANG Ning (Lead)
PAN Ding


2018 -




Study the carbon-bearing supercritical fluids by first-principles molecular dynamics


含碳超临界流体的第一性原理分子动力学研究 Leading


National Natural Science Foundation of China


Project Team (HKUST)
PAN Ding (Lead)


2018 - 2021




Physical and chemical properties of C-H-O fluids at high pressures and high temperatures from first principles


从第一性原理出发研究高温高压下C-H-O流体的物理和化学性质 Leading


RGC - Early Career Scheme


Project Team (HKUST)
PAN Ding (Lead)


2017 - 2021