Class information for:
Level 2: AFLOW//POWDER INDEXING//COMPUTAT DESIGN DISCOVERY NOVEL MAT

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
3526 1395 31.3 50%


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
656 3       QUASICRYSTALS//APPROXIMANT//DECAGONAL QUASICRYSTAL 11222
3526 2             AFLOW//POWDER INDEXING//COMPUTAT DESIGN DISCOVERY NOVEL MAT 1395
17883 1                   AFLOW//COMPUTAT DESIGN DISCOVERY NOVEL MAT//ENSEMBLES OF FEED FORWARD NEURAL NETWORKS 577
22815 1                   ORBITAL ELECTRONEGATIVITY//PSEUDOPOTENTIAL RADIUS//YULIN BRANCH 368
24709 1                   POWDER INDEXING//DERIVATIVE LATTICES//INDEXING PROGRAMS 304
31902 1                   CLASSIFICATION OF ATOMIC SPECTRAL ENERGY LEVELS//CLASSIFICATION OF ENERGY LEVELS//CMI ODD PARITY SPECTRUM 146

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 AFLOW authKW 109437 0% 100% 5
2 POWDER INDEXING authKW 109437 0% 100% 5
3 COMPUTAT DESIGN DISCOVERY NOVEL MAT address 97494 1% 64% 7
4 DERIVATIVE LATTICES authKW 87550 0% 100% 4
5 ORBITAL ELECTRONEGATIVITY authKW 70038 0% 80% 4
6 PSEUDOPOTENTIAL RADIUS authKW 70038 0% 80% 4
7 ENSEMBLES OF FEED FORWARD NEURAL NETWORKS authKW 65662 0% 100% 3
8 INDEXING PROGRAMS authKW 65662 0% 100% 3
9 NSF INT MAT address 65662 0% 100% 3
10 REDUCED CELL authKW 65662 0% 100% 3

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 Crystallography 2623 12% 0% 170
2 Physics, Atomic, Molecular & Chemical 2386 17% 0% 240
3 Chemistry, Physical 2235 28% 0% 395
4 Metallurgy & Metallurgical Engineering 914 9% 0% 131
5 Materials Science, Multidisciplinary 847 20% 0% 278
6 Physics, Condensed Matter 517 12% 0% 168
7 Chemistry, Multidisciplinary 281 12% 0% 168
8 Microscopy 165 1% 0% 18
9 Materials Science, Characterization, Testing 147 1% 0% 20
10 Mining & Mineral Processing 126 1% 0% 15

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 COMPUTAT DESIGN DISCOVERY NOVEL MAT 97494 1% 64% 7
2 NSF INT MAT 65662 0% 100% 3
3 YULIN BRANCH 65662 0% 100% 3
4 COMPUTAT DESIGN DISCOVERY NOVEL MAT MA 56263 1% 21% 12
5 MAT GENOM MAT SCI ELECT ENGN PHYS CHEM 49245 0% 75% 3
6 ARGONNE LEADERSHIP COMP IL 45614 1% 15% 14
7 KHARKOV ENGN PHYS 43775 0% 100% 2
8 MAT INFORMAT INTEGRAT 35007 1% 20% 8
9 LUBRICANT 32828 0% 50% 3
10 COMBINATORIAL MAT SCI MAT INFORMAT 29182 0% 67% 2

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 KRISTALLOGRAFIYA 4731 2% 1% 29
2 JOURNAL OF RESEARCH OF THE NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY 4446 1% 1% 14
3 JOURNAL OF CHEMICAL PHYSICS 3458 9% 0% 119
4 ACTA CRYSTALLOGRAPHICA SECTION A 3449 1% 1% 19
5 MRS BULLETIN 2917 1% 1% 17
6 JOM 2273 1% 1% 15
7 COMPUTATIONAL MATERIALS SCIENCE 2203 2% 0% 27
8 ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 2073 1% 1% 11
9 INDUSTRIAL LABORATORY 1684 1% 1% 10
10 JOURNAL OF APPLIED CRYSTALLOGRAPHY 1676 2% 0% 21

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 AFLOW 109437 0% 100% 5 Search AFLOW Search AFLOW
2 POWDER INDEXING 109437 0% 100% 5 Search POWDER+INDEXING Search POWDER+INDEXING
3 DERIVATIVE LATTICES 87550 0% 100% 4 Search DERIVATIVE+LATTICES Search DERIVATIVE+LATTICES
4 ORBITAL ELECTRONEGATIVITY 70038 0% 80% 4 Search ORBITAL+ELECTRONEGATIVITY Search ORBITAL+ELECTRONEGATIVITY
5 PSEUDOPOTENTIAL RADIUS 70038 0% 80% 4 Search PSEUDOPOTENTIAL+RADIUS Search PSEUDOPOTENTIAL+RADIUS
6 ENSEMBLES OF FEED FORWARD NEURAL NETWORKS 65662 0% 100% 3 Search ENSEMBLES+OF+FEED+FORWARD+NEURAL+NETWORKS Search ENSEMBLES+OF+FEED+FORWARD+NEURAL+NETWORKS
7 INDEXING PROGRAMS 65662 0% 100% 3 Search INDEXING+PROGRAMS Search INDEXING+PROGRAMS
8 REDUCED CELL 65662 0% 100% 3 Search REDUCED+CELL Search REDUCED+CELL
9 SPACE GROUP REVISION 65662 0% 100% 3 Search SPACE+GROUP+REVISION Search SPACE+GROUP+REVISION
10 MATERIALS INFORMATICS 61122 1% 31% 9 Search MATERIALS+INFORMATICS Search MATERIALS+INFORMATICS

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 BEHLER, J , (2015) CONSTRUCTING HIGH-DIMENSIONAL NEURAL NETWORK POTENTIALS: A TUTORIAL REVIEW.INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. VOL. 115. ISSUE 16. P. 1032 -1050 50 53% 23
2 BEHLER, J , (2014) REPRESENTING POTENTIAL ENERGY SURFACES BY HIGH-DIMENSIONAL NEURAL NETWORK POTENTIALS.JOURNAL OF PHYSICS-CONDENSED MATTER. VOL. 26. ISSUE 18. P. - 67 35% 42
3 BEHLER, J , (2011) NEURAL NETWORK POTENTIAL-ENERGY SURFACES IN CHEMISTRY: A TOOL FOR LARGE-SCALE SIMULATIONS.PHYSICAL CHEMISTRY CHEMICAL PHYSICS. VOL. 13. ISSUE 40. P. 17930 -17955 58 43% 97
4 BEHLER, J , (2011) ATOM-CENTERED SYMMETRY FUNCTIONS FOR CONSTRUCTING HIGH-DIMENSIONAL NEURAL NETWORK POTENTIALS.JOURNAL OF CHEMICAL PHYSICS. VOL. 134. ISSUE 7. P. - 34 79% 55
5 HANDLEY, CM , POPELIER, PLA , (2010) POTENTIAL ENERGY SURFACES FITTED BY ARTIFICIAL NEURAL NETWORKS.JOURNAL OF PHYSICAL CHEMISTRY A. VOL. 114. ISSUE 10. P. 3371-3383 33 79% 75
6 JAIN, A , HAUTIER, G , ONG, SP , PERSSON, K , (2016) NEW OPPORTUNITIES FOR MATERIALS INFORMATICS: RESOURCES AND DATA MINING TECHNIQUES FOR UNCOVERING HIDDEN RELATIONSHIPS.JOURNAL OF MATERIALS RESEARCH. VOL. 31. ISSUE 8. P. 977 -994 44 49% 2
7 GASTEGGER, M , MARQUETAND, P , (2015) HIGH-DIMENSIONAL NEURAL NETWORK POTENTIALS FOR ORGANIC REACTIONS AND AN IMPROVED TRAINING ALGORITHM.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 11. ISSUE 5. P. 2187 -2198 43 52% 7
8 BEHLER, J , (2016) PERSPECTIVE: MACHINE LEARNING POTENTIALS FOR ATOMISTIC SIMULATIONS.JOURNAL OF CHEMICAL PHYSICS. VOL. 145. ISSUE 17. P. - 33 62% 2
9 SEKO, A , TAKAHASHI, A , TANAKA, I , (2015) FIRST-PRINCIPLES INTERATOMIC POTENTIALS FOR TEN ELEMENTAL METALS VIA COMPRESSED SENSING.PHYSICAL REVIEW B. VOL. 92. ISSUE 5. P. - 36 64% 1
10 MALSHE, M , PUKRITTAYAKAMEE, A , RAFF, LM , HAGAN, M , BUKKAPATNAM, S , KOMANDURI, R , (2009) ACCURATE PREDICTION OF HIGHER-LEVEL ELECTRONIC STRUCTURE ENERGIES FOR LARGE DATABASES USING NEURAL NETWORKS, HARTREE-FOCK ENERGIES, AND SMALL SUBSETS OF THE DATABASE.JOURNAL OF CHEMICAL PHYSICS. VOL. 131. ISSUE 12. P. - 34 77% 5

Classes with closest relation at Level 2


Rank Class id link
1 937 QUANTUM THEORY GRP//PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
2 2716 NITRIDOSILICATES//ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE//LEHRSTUHL ANORGAN FESTKORPERCHEM
3 384 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//JOURNAL OF COMPUTATIONAL CHEMISTRY//CHEMISTRY, PHYSICAL
4 3138 ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES//ACTA CRYSTALLOGRAPHICA SECTION A//MATH INVEST CRYSTALLOG MINERAL PETROG
5 611 IRON ALUMINIDES//METALLURGY & METALLURGICAL ENGINEERING//INTERMETALLICS
6 2691 JOURNAL OF APPLIED CRYSTALLOGRAPHY//POWDER DIFFRACTION//LINE PROFILE ANALYSIS
7 3226 JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES//IUPAC POLYMER DIVISION//LIMS
8 2423 CATALYTIC ANTIBODIES//ABZYME//DIRECTED EVOLUTION
9 3804 ELECTRON WORK FUNCTION//REGIONAL DENSITY FUNCTIONAL THEORY//THEORY OF CHEMICAL BOND
10 3326 DELAFOSSITE//CUALO2//CUFEO2

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