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Wiley Interdisciplinary Reviews: Computational Molecular Science
H-index 40

Wiley Interdisciplinary Reviews: Computational Molecular Science

Ranking & Metrics

Discipline name Position Best Scientists Publications D-Index
Chemistry 185 98 106 37

Additional Metrics

Number of Best Scientists*: 145
Documents by Best Scientists*: 140
Top 100 Ranked Scientists*: 3
SCIMAGO H-index: 116
SCIMAGO SJR: 4.501
Impact Factor: 27

Overview

Top Research Topics at Wiley Interdisciplinary Reviews: Computational Molecular Science?

The journal generally zeroes in on subjects such as Nanotechnology, Density functional theory, Statistical physics, Chemical physics and Computational chemistry. The Nanotechnology study featured in Wiley Interdisciplinary Reviews: Computational Molecular Science draws connections with the study of Molecular dynamics. It addresses concerns in Density functional theory which are intertwined with other disciplines, such as Quantum chemistry, Ab initio and Electronic structure.

The research on Statistical physics featured in the journal combines topics in other fields like Quantum and Quantum mechanics. Wiley Interdisciplinary Reviews: Computational Molecular Science dives deep in exploring the relationship between the study of Computational chemistry and Molecule.

  • Nanotechnology (14.23%)
  • Density functional theory (14.02%)
  • Statistical physics (13.61%)

What are the most cited papers published in the journal?

  • The ORCA program system (6377 citations)
  • Molpro: a general-purpose quantum chemistry program package (2369 citations)
  • Software update: the ORCA program system, version 4.0 (1637 citations)

Research areas of the most cited articles at Wiley Interdisciplinary Reviews: Computational Molecular Science:

The most cited papers investigate studies in Statistical physics, Density functional theory, Quantum mechanics, Electronic structure and Computational chemistry. The Density functional theory research presented in the published articles focuses mostly on van der Waals force and, on occasion, topics in Orbital-free density functional theory. The studies on Electronic structure discussed at the most cited papers can also contribute to research in the domains of Molecular dynamics, Computation, Ab initio, Coupled cluster and Gaussian.

What topics the last edition of the journal is best known for?

  • Quantum mechanics
  • Electron
  • Enzyme

The previous edition focused in particular on these issues:

The foci of the journal are Density functional theory, Chemical physics, Molecular dynamics, Nanotechnology and Statistical physics. While work presented in Wiley Interdisciplinary Reviews: Computational Molecular Science provided substantial information on Density functional theory, it also covered topics in Molecular physics, Quantum chemistry and Catalysis. While Chemical physics is the focus of Wiley Interdisciplinary Reviews: Computational Molecular Science, it also provided insights into the studies of Mechanism (sociology), Molecule and Dynamics (mechanics).

Molecular dynamics study tackled is connected to the field of Biophysics. Many of the studies tackled connect Statistical physics with a similar field of study like Heterogeneous catalysis.

The most cited articles from the last journal are:

  • Extended tight-binding quantum chemistry methods (79 citations)
  • TeraChem: A graphical processing unit-accelerated electronic structure package for large-scale ab initio molecular dynamics (33 citations)
  • The prospects of quantum computing in computational molecular biology (28 citations)

Papers citation over time

A key indicator for each journal is its effectiveness in reaching other researchers with the papers published at that venue.

The chart below presents the interquartile range (first quartile 25%, median 50% and third quartile 75%) of the number of citations of articles over time.

The top authors publishing in Wiley Interdisciplinary Reviews: Computational Molecular Science (based on the number of publications) are:

  • Tingjun Hou (4 papers) published 2 papers at the last edition, 1 more than at the previous edition,
  • Stefan Grimme (4 papers) published 1 paper at the last edition,
  • Dieter Cremer (4 papers) absent at the last edition,
  • Andreas Dreuw (4 papers) published 1 paper at the last edition, 1 less than at the previous edition,
  • Modesto Orozco (3 papers) absent at the last edition.

The overall trend for top authors publishing in this journal is outlined below. The chart shows the number of publications at each edition of the journal for top authors.

Only papers with recognized affiliations are considered

The top affiliations publishing in Wiley Interdisciplinary Reviews: Computational Molecular Science (based on the number of publications) are:

  • University of Science and Technology of China (12 papers) published 1 paper at the last edition,
  • Max Planck Society (10 papers) absent at the last edition,
  • University of Bonn (9 papers) published 1 paper at the last edition the same number as at the previous edition,
  • Chinese Academy of Sciences (8 papers) published 5 papers at the last edition,
  • Hebrew University of Jerusalem (7 papers) published 1 paper at the last edition the same number as at the previous edition.

The overall trend for top affiliations publishing in this journal is outlined below. The chart shows the number of publications at each edition of the journal for top affiliations.

Publication chance based on affiliation

The publication chance index shows the ratio of articles published by the best research institutions in the journal edition to all articles published within that journal. The best research institutions were selected based on the largest number of articles published during all editions of the journal.

The chart below presents the percentage ratio of articles from top institutions (based on their ranking of total papers).Top affiliations were grouped by their rank into the following tiers: top 1-10, top 11-20, top 21-50, and top 51+. Only articles with a recognized affiliation are considered.

During the most recent 2021 edition, 1.23% of publications had an unrecognized affiliation. Out of the publications with recognized affiliations, 15.00% were posted by at least one author from the top 10 institutions publishing in the journal. Another 6.25% included authors affiliated with research institutions from the top 11-20 affiliations. Institutions from the 21-50 range included 23.75% of all publications and 55.00% were from other institutions.

Returning Authors Index

A very common phenomenon observed among researchers publishing scientific articles is the intentional selection of journals they have already attended in the past. In particular, it is worth analyzing the case when the authors participate in the same journal from year to year.

The Returning Authors Index presented below illustrates the ratio of authors who participated in both a given as well as the previous edition of the journal in relation to all participants in a given year.

Returning Institution Index

The graph below shows the Returning Institution Index, illustrating the ratio of institutions that participated in both a given and the previous edition of the conference in relation to all affiliations present in a given year.

The experience to innovation index

Our experience to innovation index was created to show a cross-section of the experience level of authors publishing in a journal. The index includes the authors publishing at the last edition of a journal, grouped by total number of publications throughout their academic career (P) and the total number of citations of these publications ever received (C).

The group intervals were selected empirically to best show the diversity of the authors' experiences, their labels were selected as a convenience, not as judgment. The authors were divided into the following groups:

  • Novice - P < 5 or C < 25 (the number of publications less than 5 or the number of citations less than 25),
  • Competent - P < 10 or C < 100 (the number of publications less than 10 or the number of citations less than 100),
  • Experienced - P < 25 or C < 625 (the number of publications less than 25 or the number of citations less than 625),
  • Master - P < 50 or C < 2500 (the number of publications less than 50 or the number of citations less than 2500),
  • Star - P ≥ 50 and C ≥ 2500 (both the number of publications greater than 50 and the number of citations greater than 2500).

The chart below illustrates experience levels of first authors in cases of publications with multiple authors.

Top Publications

  • Software update: The ORCA program system—Version 5.0

    Unknown

    (2022)
    4784 Citations
  • Extended tight-binding quantum chemistry methods

    Christoph Bannwarth;Eike Caldeweyher;Sebastian Ehlert;Andreas Hansen

    (2021)
    1422 Citations
  • Molecular electrostatic potential analysis: A powerful tool to interpret and predict chemical reactivity

    Unknown

    (2022)
    462 Citations
  • A review of molecular representation in the age of machine learning

    Unknown

    (2022)
    406 Citations
  • Two decades of Martini: Better beads, broader scope

    Unknown

    (2022)
    294 Citations
  • Generative models for molecular discovery: Recent advances and challenges

    (2022)
    268 Citations
  • From machine learning to deep learning: Advances in scoring functions for protein–ligand docking

    Chao Shen;Junjie Ding;Zhe Wang;Dongsheng Cao

    (2020)
    238 Citations
  • TeraChem: A graphical processing unit-accelerated electronic structure package for large-scale ab initio molecular dynamics

    Stefan Seritan;Stefan Seritan;Christoph Bannwarth;Christoph Bannwarth;Bryan S. Fales;Bryan S. Fales;Edward G. Hohenstein;Edward G. Hohenstein

    (2021)
    203 Citations
  • Delocalization error: The greatest outstanding challenge in density‐functional theory

    (2022)
    135 Citations
  • External electric field effects on chemical structure and reactivity

    Thijs Stuyver;Thijs Stuyver;David Danovich;Jyothish Joy;Sason Shaik

    (2020)
    133 Citations

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