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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 | Relationship among placenta previa, fetal growth restriction, and preterm delivery: a population-based study 显示文摘 | Ananth C V Demissie K Smulian J C | 2001 | Obstet Gynecol2001，98，2： | 1 |
| 3 | Marketplace lodging needs of mature travellers 显示文摘 | Ananth M DeMicco F J Mereo P J Howey R M | 1992 | The Cornell Hotel and Restaurant Administration Quarterly1992，33，4： | 1 |
| 4 | Maternal age and risk of fetal death in singleton gestations: USA, 1995- 2000显示文摘 | Canterino JC Ananth CV Smulian J | 2004 | J Matern Fetal Neonatal Med2004，15，3： | 1 |
| 5 | Tardive dyskinesia in 2 patients treatexl with ziprasidone显示文摘 | Ananth J Burgoyne KS Niz D | 2004 | J Psychiatry Nettrosci2004，29，6： | 1 |
| 6 | Matemal age and risk of fetal death in singleton gestationai USA显示文摘 | Canterinojc Ananth CV Smulian J | 2009 | Matem Fetal Neonatal Meal2009，15，2： | 1 |
| 7 | Side effects in the neonate from psychotropic agents excreted through breast-feeding显示文摘 | Ananth J | 1978 | Am J Psychiatry1978，135，7： | 1 |
| 8 | Maternal age and Hsk of fetal death in singleton gestatlonsi USA 显示文摘 | Canterlno JC Ananth CV Smulian J | 2004 | Matem Fetal Neonatal Med2004，15，3： | 1 |
| 9 | Side effects of atypical antipsychotic drugs显示文摘 | Ananth J Parameswaran S Qmatilake S | 2004 | Curr Pharm Des2004，10，18： | 1 |
| 10 | MatemM age andriskof fetal death in sindewn gestations: USA, 1995 - 2000 显示文摘 | Canterino JC Ananth CV Smulian J | 2004 | JMater Fetal Neonatal Med2004，15，： | 1 |
| 11 | Fetal and neonatal mortality among twin gestations in the United States : the role of intrapair birth weight discordance 显示文摘 | Demissie K Ananth CV Martin J | 2002 | Obstet Gynecol2002，100，3： | 1 |
| 12 | Rehabilitation of Schizophrenic Patients显示文摘 | Gunatilake S Ananth J Parameswaran S | 2004 | Current Pharmaceutical Design2004，10，： | 1 |
| 13 | Atypical antipsychotic induced weight gain:pathophysiology and management显示文摘 | Ananth J | 2004 | Ann Clin Psychiatry2004，16，： | 1 |
| 14 | Gestational diabetes mellitus risk factors,obstetric complications and infant outcomes 显示文摘 | Mcmahon M J Ananth C V Liston R M | 1998 | J Reprod Med1998，43，4： | 1 |
| 15 | Relation-ship among placenta previa,fetal growth restriction,and pre-term delivery : a population- based study 显示文摘 | ANANTH C V’DEMISSIE K SMULIAN J C | 2001 | Obstet Gynecol2001，98，2： | 1 |
| 16 | Regional xenon 133 cerebral blood flow and cerebral technetium 99m HMPAO uptake in unmedicated patients with OCD and matched normal control subjects, Determination by high - resolution single -photon emission computed tomography 显示文摘 | RUBIN R T VILLANUEVA MEVER J ANANTH J | 1992 | Arch Gen Psychiatry1992，49，9： | 1 |
| 17 | Side effects of atypical antipsyehotic drugs显示文摘 | Ananth J Parameswaran S Gunatilakes | 2004 | Curr Pharm Des2004，10，18： | 1 |
| 18 | Comparative effec- tiveness of upfront treatment strategies in elderly women with ovarian cancer显示文摘 | Wright JD Ananth CV Tsui J | 2014 | Cancer2014，120，8： | 1 |
| 19 | Mitigation of TNT and destex explosion effects using water mist 显示文摘 | Willauer H D Ananth R Farley J P | 2009 | Journal of Hazardous Materials2009，165，13： | 1 |
| 20 | Studies on low temperature Al electrolysis using composite anodes in NaF-KCl bath electrolyte显示文摘 | BALARAJU J N ANANTH V SEN U | 1995 | Journal of the Electrochemical Society1995，142，2： | 1 |
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