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| 1 | The ReaxFF reactive force-field: development, applications and future directions显示文摘The reactive force-field(ReaxFF)interatomic potential is a powerful computational tool for exploring,developing and optimizing material properties.Methods based on the principles of quantum mechanics(QM),while offering valuable theoretical guidance at the electronic level,are often too computationally intense for simulations that consider the full dynamic evolution of a system.Alternatively,empirical interatomic potentials that are based on classical principles require significantly fewer computational resources,which enables simulations to better describe dynamic processes over longer timeframes and on larger scales.Such methods,however,typically require a predefined connectivity between atoms,precluding simulations that involve reactive events.The ReaxFF method was developed to help bridge this gap.Approaching the gap from the classical side,ReaxFF casts the empirical interatomic potential within a bond-order formalism,thus implicitly describing chemical bonding without expensive QM calculations.This article provides an overview of the development,application,and future directions of the ReaxFF method. | Thomas P Senftle Sungwook Hong Md Mahbubul Islam Sudhir B Kylasa Yuanxia Zheng Yun Kyung Shin Chad Junkermeier Roman Engel-Herbert Michael J Janik Hasan Metin Aktulga Toon Verstraelen Ananth Grama Adri CT van Duin | 2016 | npj Computational Materials2016，，1： | 22 |
| 2 | Characterization of inhibitor and corrosion product film using electrochemical impedance spectroscopy(EIS) 显示文摘 | Wang H B Hong T Jepson W P | 2001 | Corrosion2001，，： | 2 |
| 3 | Overexpression of △1-pyrroline-5-carboxylate synthetase increases proline overproduction and confers osmotolerance in transgenic plants显示文摘 | Kavi Kishor P B Hong Z | 1995 | Plant Physiology1995，108，： | 1 |
| 4 | Overexpression of △1-pyrroline-5-carboxylate synthytase increase proline production and confers osmostolerance in transgenic plants显示文摘 | Kishor P B K Hong Z Miao GH | 1995 | Plant physiol1995，108，： | 1 |
| 5 | Overexpression of △1-pyrroline-5-carboxylate synthetase increases proline over production and confers osmo-tolerance in transgenic plants 显示文摘 | Kavi Kishor P B K Hong Z Miao G | 1995 | Plant Physiology1995，108，4： | 1 |
| 6 | Overexpression of Dlpyrroline-5-carboxylate synthetase increases proline production and confers osmotolerance in transgenic plants 显示文摘 | Kishor B P K Hong Z Miao G H | 1995 | Plant Physiology1995，108，： | 1 |
| 7 | Overexpression of △-Pyrroline-5-carboxylate synthetase increse proline production and confers osmotolerance in transgenic plants 显示文摘 | Hong Z Miao G H | 1987 | Plant Physiol1987，83，： | 1 |
| 8 | Overcxpression of pyrroline-5-carboxylase synthasc increase proline production and confers osmotolerance in transgenic plants显示文摘 | Kishor P B K Hong Z Miao G | 1995 | Plant Physiol1995，108，： | 1 |
| 9 | Oncogenie signals of HER-2/neu in regulating the stability of the cyelin-dependent kinase inhibitor p27显示文摘 | Yang H Y Zhou B P Hong M C | 2000 | J Biol Chem2000，275，24： | 1 |
| 10 | Over expression of △-pyrroline-5-carb oxylate synthetase increases proline production and confers osmotolerance in transgenic plants显示文摘 | Kavi Kishor P B Hong Z Miao G H Hu C A Verma D P S | 1995 | Plant Physiol1995，108，： | 1 |
| 11 | VEGF-A promotes tissue repair-associated lymphaticvessel formation via VEGFR-2 and the alphbetal andthe alph2betal integrins显示文摘 | Hong YK Lange-Asschenfldt B Velasco P | 2004 | FASEB J2004，189，10： | 1 |
| 12 | Over expression of D1-pyrroline-5-car-boxylate synthetase increases proline production and confers osmotolerance in transgenic plants显示文摘 | Kavi-Kishor P B K Hong Z Miao G H Hu C A A Verma D P S | 1995 | Plant physiol1995，108，： | 1 |
| 13 | Over-expression of delta-pyrroline-5-carboxylate synthetase increases proline production and confers osmotolerance in transgenic plants显示文摘 | Kishor P B K Hong Z Miao G H Hu C A A Verma D P S | | 0，，： | 1 |
| 14 | Human milk oligosa- ccharides reduce HIV-l-gpl20 binding to dendritic cell- specific ICAM3-grabbing non-integrin (DC-SIGN) 显示文摘 | Hong P Ninonuevo MR Lee B | 2009 | Br J Nutr2009，101，4： | 1 |
| 15 | Over-expression of Dl-pyrroline-5-car-boxylate synthetase increase proline production and confers osmotolerance in transgenic plants显示文摘 | Kavi P B Hong Z Miao G H | 1995 | Plant Physiol1995，108，： | 1 |
| 16 | Overexpression of Pyrroline - 5 - Carboxylate synthetase increases proline over- production and confers osmotolerance in transgenic plants显示文摘 | KISHOR P B K HONG Z MIAO G H | 1995 | Plant Physiol1995，108，： | 1 |
| 17 | Development of a helicopter blade FE model using MIGA optimization 显示文摘 | Hong B Soh T Y Pey L P | 2004 | AIAA Journal2004，4，： | 1 |
| 18 | Human milk oligosaccharides reduce H1V-1-gp120 binding to dendritic cell-specific ICAM3-grabbing non-integrin (DC-SIGN)显示文摘 | HONG P NINONUEVO M R LEE B | 2009 | British Journal of Nutrition2009，101，4： | 1 |
| 19 | A survey of the Brassica rapa genome by BAC-end sequence analysis and comparison with Arabidopsis thaliana显示文摘 | Hong C P Plaha P Koo D H Yang T J Choi S R Lee Y K Uhm T Bang J W Edwards D Bancroft Ⅰ Park B S Lee J Lim Y P | | 0，，： | 1 |
| 20 | Overexpression of △'-pyrroline-5-carboxylate synthetase increases proline production and confers osmotolerance in plants显示文摘 | HONG Z MIAO G H | 1995 | Plant Physiol1995，108，： | 1 |
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