Class information for:
Level 1: REAXFF//REACTIVE MOLECULAR DYNAMICS//REACTIVE FORCE FIELD

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
24752 302 42.2 76%


Bar chart of Publication_year

Last years might be incomplete

Hierarchy of classes
The table includes all classes above and classes immediately below the current class.


Cluster id Level Cluster label #P
2 4 MATERIALS SCIENCE, MULTIDISCIPLINARY//PHYSICS, APPLIED//PHYSICS, CONDENSED MATTER 2836879
505 3       ZHURNAL NAUCHNOI I PRIKLADNOI FOTOGRAFII//SOLID STATE IONICS//SOLID ELECTROLYTE 21947
2949 2             REAXFF//DEFECT DISORDER//TIGHT BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS 2678
24752 1                   REAXFF//REACTIVE MOLECULAR DYNAMICS//REACTIVE FORCE FIELD 302

Terms with highest relevance score


rank Term termType Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 REAXFF authKW 1442963 11% 42% 34
2 REACTIVE MOLECULAR DYNAMICS authKW 519981 4% 43% 12
3 REACTIVE FORCE FIELD authKW 297121 4% 24% 12
4 ABORAT ADV COMP SIMULAT address 227496 1% 75% 3
5 CHARGE OPTIMIZED MANY BODY COMB POTENTIAL authKW 202220 1% 100% 2
6 CHARGE OPTIMIZED MANY BODY POTENTIAL authKW 202220 1% 100% 2
7 GMD REAX authKW 202220 1% 100% 2
8 HIGH TECHNOL SERV GRP address 202220 1% 100% 2
9 REACTIVE FORCE FIELDS authKW 179747 1% 44% 4
10 REACTIVE DYNAMICS SIMULATIONS authKW 134812 1% 67% 2

Web of Science journal categories


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 Physics, Atomic, Molecular & Chemical 1170 25% 0% 76
2 Chemistry, Physical 1058 40% 0% 121
3 Materials Science, Multidisciplinary 190 20% 0% 61
4 Energy & Fuels 181 9% 0% 26
5 Nanoscience & Nanotechnology 132 8% 0% 24
6 Computer Science, Interdisciplinary Applications 119 6% 0% 18
7 Engineering, Chemical 101 9% 0% 27
8 Physics, Condensed Matter 74 10% 0% 31
9 Physics, Mathematical 42 4% 0% 12
10 Chemistry, Multidisciplinary 22 9% 0% 26

Address terms


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 ABORAT ADV COMP SIMULAT 227496 1% 75% 3
2 HIGH TECHNOL SERV GRP 202220 1% 100% 2
3 MECH NUCL ENGN 131225 18% 2% 54
4 MAT PROC SIMULAT 103511 9% 4% 26
5 ABORAT ADV COMP SIMULAT CHEM ENGN MA 101110 0% 100% 1
6 ADV TURBOMACHINERY ENERGY CATER 101110 0% 100% 1
7 BECKMAN 139 174 101110 0% 100% 1
8 CHEM ENGN MAT SCI ABORATORY COMP SIM 101110 0% 100% 1
9 CHEM MECH AEROSP BIOMED ENGN 101110 0% 100% 1
10 COMP SCI PHYS ASTRON 101110 0% 100% 1

Journals


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 JOURNAL OF PHYSICAL CHEMISTRY A 2827 10% 0% 29
2 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 2189 3% 0% 10
3 COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE 1895 1% 1% 2
4 JOURNAL OF COMPUTATIONAL CHEMISTRY 1638 3% 0% 10
5 COMPUTER PHYSICS COMMUNICATIONS 1091 3% 0% 9
6 ENERGY & FUELS 1013 4% 0% 11
7 COMPUTATIONAL MATERIALS SCIENCE 899 3% 0% 8
8 JOURNAL OF PHYSICAL CHEMISTRY C 697 5% 0% 15
9 MOLECULAR SIMULATION 609 1% 0% 4
10 JOURNAL OF MOLECULAR GRAPHICS & MODELLING 482 1% 0% 3

Author Key Words


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class		 LCSH search Wikipedia search
1 REAXFF 1442963 11% 42% 34 Search REAXFF Search REAXFF
2 REACTIVE MOLECULAR DYNAMICS 519981 4% 43% 12 Search REACTIVE+MOLECULAR+DYNAMICS Search REACTIVE+MOLECULAR+DYNAMICS
3 REACTIVE FORCE FIELD 297121 4% 24% 12 Search REACTIVE+FORCE+FIELD Search REACTIVE+FORCE+FIELD
4 CHARGE OPTIMIZED MANY BODY COMB POTENTIAL 202220 1% 100% 2 Search CHARGE+OPTIMIZED+MANY+BODY+COMB+POTENTIAL Search CHARGE+OPTIMIZED+MANY+BODY+COMB+POTENTIAL
5 CHARGE OPTIMIZED MANY BODY POTENTIAL 202220 1% 100% 2 Search CHARGE+OPTIMIZED+MANY+BODY+POTENTIAL Search CHARGE+OPTIMIZED+MANY+BODY+POTENTIAL
6 GMD REAX 202220 1% 100% 2 Search GMD+REAX Search GMD+REAX
7 REACTIVE FORCE FIELDS 179747 1% 44% 4 Search REACTIVE+FORCE+FIELDS Search REACTIVE+FORCE+FIELDS
8 REACTIVE DYNAMICS SIMULATIONS 134812 1% 67% 2 Search REACTIVE+DYNAMICS+SIMULATIONS Search REACTIVE+DYNAMICS+SIMULATIONS
9 ACCURACY AND TRANSFERABILITY 101110 0% 100% 1 Search ACCURACY+AND+TRANSFERABILITY Search ACCURACY+AND+TRANSFERABILITY
10 APPLICATION OF ALGORITHMS 101110 0% 100% 1 Search APPLICATION+OF+ALGORITHMS Search APPLICATION+OF+ALGORITHMS

Core articles
The table includes core articles in the class. The following variables is taken into account for the relevance score of an article in a cluster c:
(1) Number of references referring to publications in the class.
(2) Share of total number of active references referring to publications in the class.
(3) Age of the article. New articles get higher score than old articles.
(4) Citation rate, normalized to year.


Rank Reference # ref.
in cl.		 Shr. of ref. in
cl.		 Citations
1 HAN, Y , JIANG, DD , ZHANG, JL , LI, W , GAN, ZX , GU, JJ , (2016) DEVELOPMENT, APPLICATIONS AND CHALLENGES OF REAXFF REACTIVE FORCE FIELD IN MOLECULAR SIMULATIONS.FRONTIERS OF CHEMICAL SCIENCE AND ENGINEERING. VOL. 10. ISSUE 1. P. 16 -38 53 37% 2
2 ZOU, CY , RAMAN, S , VAN DUIN, ACT , (2014) LARGE-SCALE REACTIVE MOLECULAR DYNAMICS SIMULATION AND KINETIC MODELING OF HIGH-TEMPERATURE PYROLYSIS OF THE GLOEOCAPSOMORPHAPRISCA MICROFOSSILS.JOURNAL OF PHYSICAL CHEMISTRY B. VOL. 118. ISSUE 23. P. 6302-6315 23 52% 7
3 ZOU, CY , SHIN, YK , VAN DUIN, ACT , FANG, HZ , LIU, ZK , (2015) MOLECULAR DYNAMICS SIMULATIONS OF THE EFFECTS OF VACANCIES ON NICKEL SELF-DIFFUSION, OXYGEN DIFFUSION AND OXIDATION INITIATION IN NICKEL, USING THE REAXFF REACTIVE FORCE FIELD.ACTA MATERIALIA. VOL. 83. ISSUE . P. 102 -112 26 40% 7
4 ZHENG, M , WANG, Z , LI, XX , QIAO, XJ , SONG, WL , GUO, L , (2016) INITIAL REACTION MECHANISMS OF CELLULOSE PYROLYSIS REVEALED BY REAXFF MOLECULAR DYNAMICS.FUEL. VOL. 177. ISSUE . P. 130 -141 22 42% 3
5 LIANG, T , SHIN, YK , CHENG, YT , YILMAZ, DE , VISHNU, KG , VERNERS, O , ZOU, CY , PHILLPOT, SR , SINNOTT, SB , VAN DUIN, ACT , (2013) REACTIVE POTENTIALS FOR ADVANCED ATOMISTIC SIMULATIONS.ANNUAL REVIEW OF MATERIALS RESEARCH, VOL 43. VOL. 43. ISSUE . P. 109 -129 29 35% 30
6 SHIN, YK , SHAN, TR , LIANG, T , NOORDHOEK, MJ , SINNOTT, SB , VAN DUIN, ACT , PHILLPOT, SR , (2012) VARIABLE CHARGE MANY-BODY INTERATOMIC POTENTIALS.MRS BULLETIN. VOL. 37. ISSUE 5. P. 504 -512 28 34% 13
7 LIU, XP , ZHAN, JH , LAI, DG , LIU, XX , ZHANG, ZJ , XU, GW , (2015) INITIAL PYROLYSIS MECHANISM OF OIL SHALE KEROGEN WITH REACTIVE MOLECULAR DYNAMICS SIMULATION.ENERGY & FUELS. VOL. 29. ISSUE 5. P. 2987 -2997 17 45% 6
8 LIU, XL , LI, XX , HAN, S , QIAO, XJ , ZHONG, BJ , GUO, L , (2016) INITIAL REACTION MECHANISM OF RP-3 HIGH TEMPERATURE OXIDATION SIMULATED WITH REAXFF MD.ACTA PHYSICO-CHIMICA SINICA. VOL. 32. ISSUE 6. P. 1424 -1433 14 56% 0
9 WANG, HJ , FENG, YH , ZHANG, XX , LIN, W , ZHAO, YL , (2015) STUDY OF COAL HYDROPYROLYSIS AND DESULFURIZATION BY REAXFF MOLECULAR DYNAMICS SIMULATION.FUEL. VOL. 145. ISSUE . P. 241 -248 15 45% 5
10 DITTNER, M , MULLER, J , AKTULGA, HM , HARTKE, B , (2015) EFFICIENT GLOBAL OPTIMIZATION OF REACTIVE FORCE-FIELD PARAMETERS.JOURNAL OF COMPUTATIONAL CHEMISTRY. VOL. 36. ISSUE 20. P. 1550 -1561 22 32% 3

Classes with closest relation at Level 1


Rank Class id link
1 32365 HIGH PERFORMANCE SIMULATION//AMORPHOUS TITANIA GROWTH//ATOMIC INTERACTION FORCE
2 1868 PROPELLANTS EXPLOSIVES PYROTECHNICS//CL 20//HMX
3 8843 GRAPHENE//SMART MICRO NANO ELE O MECH SYST SMNEMS//RIPPLED GRAPHENE
4 9018 MAEAM//MODIFIED EMBEDDED ATOM METHOD//MEAM
5 5252 POLARIZABLE FORCE FIELD//QUANTUM CHEMICAL TOPOLOGY//JOURNAL OF COMPUTATIONAL CHEMISTRY
6 16678 SILICATENE//ABT CHEM PHYS//2D SILICON DIOXIDE
7 21462 GAMMA SI3N4//TIN NITRIDE//CONCURRENT COMP MAT SIMULAT
8 24168 RADIAT NUCL DETECT MAT ANAL//ENGN NANOSCI NANOTECHNOL INITIAT//INTERATOMIC ENERGY
9 7968 JULICH AACHEN ALLIANCE JARA HPC//CSR USEK//BADER CHARGES
10 19441 OXIDE FILM MICROSTRUCTURE//HARVARD ENGN PL SCI//ACTIVATED CSF ALF3 FLUX

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