Wiley Interdisciplinary Reviews-Computational Molecular Science

Papers
(The H4-Index of Wiley Interdisciplinary Reviews-Computational Molecular Science is 30. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-04-01 to 2025-04-01.)
ArticleCitations
Machine intelligence for chemical reaction space2364
Condensed‐Phase Quantum Chemistry177
Time‐Dependent Vibrational Coupled Cluster Theory With Static and Dynamic Basis Functions154
Issue Information144
127
93
Multiscale molecular simulations to investigate adenylyl cyclase‐based signaling in the brain89
Moving in the mesoscale: Understanding the mechanics of cytoskeletal molecular motors by combining mesoscale simulations with imaging85
MultiPsi: A python‐driven MCSCF program for photochemistry and spectroscopy simulations on modern HPC environments84
Application of computational approaches in biomembranes: From structure to function84
81
Polaritonic response theory for exact and approximate wave functions68
Ring kinematics‐informed conformation space exploration64
Issue Information59
Variational determination of the two‐electron reduced density matrix: A tutorial review55
Complexity of life sciences in quantum and AI era50
Computational high‐pressure chemistry: Ab initio simulations of atoms, molecules, and extended materials in the gigapascal regime49
Issue Information46
Issue Information46
Wielding the power of interactive molecular simulations45
Rational design of allosteric modulators: Challenges and successes41
Power of stochastic kinetic models: From biological signaling and antibiotic activities to T cell activation and cancer initiation dynamics39
Quantitative analysis of high‐throughput biological data38
Cover Image, Volume 12, Issue 437
Time‐resolved photoelectron spectroscopy via trajectory surface hopping36
Computational design of two‐dimensional magnetic materials35
34
The subsystem quantum chemistry program Serenity32
Quantum mechanical/molecular mechanical studies of photophysical properties of fluorescent proteins31
The ezSpectra suite: An easy‐to‐use toolkit for spectroscopy modeling30
Understanding familial Alzheimer's disease: The fit‐stay‐trim mechanism of γ‐secretase30
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