Contact Information

Email: s102genghy@caep.cn

Tel: 15228416536，0816-2480117

Education
1994-1998，Department of Physics, Fudan University，Bachelor of Science in Physics

1998-2001，Graduate School of China Academy of Engineering Physics (CAEP)，Master of Science

2002-2005，Department of Physics, Tsinghua University，Ph.D in Physics

2005-2009，The University of Tokyo，Postdoctoral Fellow

2013-2014，Cornell University, Visiting Scientist

Research Areas

Condensed matter physics

Computational physics and materials

High pressure physics, chemistry, and mechanics

Materials design by first-principles

Interested Research Areas in CAPT：

Dislocation evolution and plasticity under extreme conditions

Electronic structure, phase diagram and properties of matters under high pressure

Artificial intelligence, machine learning and interatomic potential

Irradiation damage and aging effects

Grants and Awards： 

The 12th YuMing Prize in Mathematical and Physical Science

Selected Publications：

[1] Hua Y. Geng; Q. Wu; Y. Sun, Prediction of a mobile solid state in dense hydrogen under high pressures, J. Phys. Chem. Lett., 2017, 8: 223~228

[2] Hua Y. Geng; Q. Wu, Predicted reentrant melting of dense hydrogen at ultra-high pressures, Sci. Rep., 2016, 6: 36745

[3] Hua Y. Geng, Accelerating ab initio path integral molecular dynamics with multilevel sampling of potential surface, J. Comput. Phys., 2015, 283: 299~311

[4] Hua Y. Geng; Hong X. Song; Q. Wu, Anomalies in nonstoichiometric uranium dioxide induced by a pseudo phase transition of point defects, Phys. Rev. B, 2012, 85(14): 144111

[5] H. Y. Geng; Y. Chen; Y. Kaneta; M. Iwasawa; T. Ohnuma; M. Kinoshita, Point defects and clustering in uranium dioxide by LSDA+U calculations, Phys. Rev. B, 2008, 77: 104120

[6] H. Y. Geng; M. H. F. Sluiter; N. X. Chen, Order-disorder effects on the equation of state for fcc Ni-Al alloys, Phys. Rev. B, 2005, 72: 14204

[7] Hua Y. Geng; Q. Wu; H. Tan; L. C. Cai; F. Q. Jing, Extension of the Wu-Jing equation of state for highly porous materials: Thermoelectron based theoretical model, J. Appl. Phys., 2002, 92: 5924

Publications in past five years：

[1] Hua Y. Geng, Public debate on metallic hydrogen to boost high pressure research, Matt. Radiat. Extrem., 2017, 2: 275~277

[2] Z. Yu; Hua Y. Geng*; Y. Sun; Y. Chen, Optical properties of dense lithium in electride phases by first-principles calculations, Sci. Rep., 2018, 8: 3868

[3] Y. Chen; Hua Y. Geng*; X. Yan; Y. Sun; Q. Wu; X. Chen, Prediction of Stable Ground-State Lithium Polyhydrides under High Pressures, Inorg. Chem., 2017, 56: 3867~3874

[4] Y. X. Wang; Hua Y. Geng*; Q. Wu; X. R. Chen; Y. Sun, First-principles investigation of elastic anomalies in niobium at high pressure and temperature, J. Appl. Phys., 2017, 122: 235903

[5] Y. M. Chen; H. Y. Geng; X. Z. Yan; Z. W. Wang; X. R. Chen; Q. Wu, Predicted novel insulating electride compound between alkali metals lithium and sodium under high pressure, Chin. Phys. B, 2017, 26(5): 056102

[6] Y. X. Wang; Q. Wu; X. R. Chen; Hua Y. Geng*, Stability of rhombohedral phases in vanadium at high-pressure and high-temperature: first-principles investigations, Sci. Rep., 2016, 6: 32419

[7] Y. M. Chen; X. R. Chen; Q. Wu; Hua Y. Geng*; X. Z. Yan; Y. X. Wang; Z. W. Wang, Compression and phase diagram of lithium hydrides at elevated pressures and temperatures by first-principles calculation, J. Phys. D: Appl. Phys., 2016, 49(35): 355305

[8] Hua Y. Geng*; R. Hoffmann; Q. Wu, Lattice stability and high-pressure melting mechanism of dense hydrogen up to 1.5 TPa, Phys. Rev. B, 2015, 92: 1041

[9] Hong X. Song; L. Liu; Hua Y. Geng*; Q. Wu, First-principle study on structural and electronic properties of CeO2 and ThO2 under high pressures, Phys. Rev. B, 2013, 87(18): 184103

[10] Hua Y. Geng; Hong X. Song; Q. Wu, Theoretical assessment on the possibility of constraining point-defect energetics by pseudo phase transition pressures, Phys. Rev. B, 2013, 87(17): 174107

[11] Hua Y. Geng; Hong X. Song; J. F. Li; Q. Wu, High-pressure behavior of dense hydrogen up to 3.5 TPa from density functional theory calculations, J. Appl. Phys., 2012, 111(6): 63510