Class information for:
Level 1: MULTIPLE TIME STEP//SHAKE//SYMPLECTIC INTEGRATION METHODS

Basic class information
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
6 4 CHEMISTRY, ORGANIC//CHEMISTRY, INORGANIC & NUCLEAR//CHEMISTRY, MULTIDISCIPLINARY 1698077
156 3       PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS//PROTEIN FOLDING//PROTEIN STRUCTURE PREDICTION 63028
1871 2             DISSIPATIVE PARTICLE DYNAMICS//MOLECULAR SIMULATION//REAXFF 6394
21460 1                   MULTIPLE TIME STEP//SHAKE//SYMPLECTIC INTEGRATION METHODS 442

Terms with highest relevance score


rank Category termType chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 MULTIPLE TIME STEP authKW 392161 2% 50% 11
2 SHAKE authKW 297089 2% 42% 10
3 SYMPLECTIC INTEGRATION METHODS authKW 213912 1% 100% 3
4 CONSTRAINT DYNAMICS authKW 162049 1% 45% 5
5 PARALLEL MOLECULAR DYNAMICS SIMULATION authKW 160433 1% 75% 3
6 3D HEART MODEL authKW 142608 0% 100% 2
7 ATTITUDE ROTATION authKW 142608 0% 100% 2
8 BOND CONSTRAINTS authKW 142608 0% 100% 2
9 CORRECTING POTENTIAL authKW 142608 0% 100% 2
10 FIXMAN authKW 142608 0% 100% 2

Web of Science journal categories


chi_square_rank Category chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 Physics, Atomic, Molecular & Chemical 2807 32% 0% 140
2 Computer Science, Interdisciplinary Applications 1393 16% 0% 69
3 Physics, Mathematical 1383 16% 0% 71
4 Chemistry, Physical 1233 36% 0% 160
5 Chemistry, Multidisciplinary 215 17% 0% 74
6 Mathematics, Interdisciplinary Applications 112 4% 0% 18
7 Mathematics, Applied 107 7% 0% 33
8 Biophysics 46 5% 0% 21
9 Physics, Multidisciplinary 36 6% 0% 26
10 Physics, Fluids & Plasmas 35 3% 0% 12

Address terms


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 ANESTHESIOLVET AFFAIRS MED 71304 0% 100% 1
2 BIOL MOL CELLULEEQUIPE DIFFERENCIAT CYCLE 71304 0% 100% 1
3 CHEM CHEM ENGN CN 8921 71304 0% 100% 1
4 CHEM SPETTROSCOPIA MOLEC 71304 0% 100% 1
5 COMPUTAT SCICHIKUSA KU 71304 0% 100% 1
6 GRD GRP BIOPHYS 71304 0% 100% 1
7 KRISTALLOG HBEREICH CHEM 71304 0% 100% 1
8 NEW MEXICO SPATIOTEMPORAL MODELING CELL SIGNA 71304 0% 100% 1
9 P NUM MATH 71304 0% 100% 1
10 PHYSIOLVET AFFAIRS MED 71304 0% 100% 1

Journals


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 JOURNAL OF COMPUTATIONAL CHEMISTRY 30682 12% 1% 52
2 MOLECULAR SIMULATION 6754 4% 1% 16
3 JOURNAL OF CHEMICAL PHYSICS 4313 17% 0% 73
4 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 3701 4% 0% 16
5 JOURNAL OF COMPUTATIONAL PHYSICS 2691 5% 0% 21
6 JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 2035 2% 0% 9
7 QUALITATIVE THEORY OF DYNAMICAL SYSTEMS 1836 0% 1% 2
8 COMPUTER PHYSICS COMMUNICATIONS 1833 3% 0% 14
9 EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS 1253 2% 0% 7
10 MOLECULAR PHYSICS 1207 3% 0% 14

Author Key Words


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass LCSH search Wikipedia search
1 MULTIPLE TIME STEP 392161 2% 50% 11 Search MULTIPLE+TIME+STEP Search MULTIPLE+TIME+STEP
2 SHAKE 297089 2% 42% 10 Search SHAKE Search SHAKE
3 SYMPLECTIC INTEGRATION METHODS 213912 1% 100% 3 Search SYMPLECTIC+INTEGRATION+METHODS Search SYMPLECTIC+INTEGRATION+METHODS
4 CONSTRAINT DYNAMICS 162049 1% 45% 5 Search CONSTRAINT+DYNAMICS Search CONSTRAINT+DYNAMICS
5 PARALLEL MOLECULAR DYNAMICS SIMULATION 160433 1% 75% 3 Search PARALLEL+MOLECULAR+DYNAMICS+SIMULATION Search PARALLEL+MOLECULAR+DYNAMICS+SIMULATION
6 3D HEART MODEL 142608 0% 100% 2 Search 3D+HEART+MODEL Search 3D+HEART+MODEL
7 ATTITUDE ROTATION 142608 0% 100% 2 Search ATTITUDE+ROTATION Search ATTITUDE+ROTATION
8 BOND CONSTRAINTS 142608 0% 100% 2 Search BOND+CONSTRAINTS Search BOND+CONSTRAINTS
9 CORRECTING POTENTIAL 142608 0% 100% 2 Search CORRECTING+POTENTIAL Search CORRECTING+POTENTIAL
10 FIXMAN 142608 0% 100% 2 Search FIXMAN Search FIXMAN

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.

Classes with closest relation at Level 1


rank cluster_id2 link
1 20767 INTERDISCIPLINARY PLICAT PHYS//NEIGHBOR LIST//CELL LINKED LIST
2 12862 EWALD SUM//EWALD SUMMATION//EWALD METHOD
3 3798 NON EQUILIBRIUM MOLECULAR DYNAMICS//MULTIBAKER MAPS//LYAPUNOV MODES
4 5399 SYMPLECTIC INTEGRATORS//MULTI SYMPLECTIC//MULTI SYMPLECTIC SCHEME
5 5300 ELASTIC NETWORK MODEL//NORMAL MODE ANALYSIS//GAUSSIAN NETWORK MODEL
6 33912 CELL VIRUS THEORY//NON LINEAR HYDRODYNAMIC EQUATIONS//ALL ATOM MULTISCALE
7 16243 BAKER CHEM CHEM BIOL//UNRES FORCE FIELD//CONFORMATIONAL SPACE ANNEALING
8 4262 FREE ENERGY CALCULATIONS//FREE ENERGY PERTURBATION//THERMODYNAMIC INTEGRATION
9 28856 GEOMETRIC STATEMENT FUNCTION METHOD//CHEM ANALYT SCI//ADIABATIC LEAKAGE
10 6229 MARKOV STATE MODEL//ENHANCED SAMPLING//IST SCI COMPUTAZ

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