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Computational Materials Today

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DOIs for this ISSN

Showing the top 5 of 59 DOIs, ordered by correction priority.

# Title Missing Priority Citations
1 Con-CDVAE: A method for the conditional generation of crysta… (10.1016/j.commt.2024.100003)
Abstract ORCID
76.57 33
2 Computational design of electride superconductors at high pr… (10.1016/j.commt.2024.100020)
Abstract ORCID
63.94 18
3 Ultimate-scaled one-dimensional transistors: Surpassing the… (10.1016/j.commt.2024.100008)
Abstract ORCID
42.25 6
4 Partially deorbitalized meta-GGA (10.1016/j.commt.2024.100002)
Abstract ORCID
34.95 4
5 Collective nature of phonon energies beyond harmonic oscilla… (10.1016/j.commt.2024.100023)
Abstract ORCID
30.10 3
6 Superconductivity and superionicity in doped rare-earth meta… (10.1016/j.commt.2025.100027)
Abstract ORCID
30.10 3
7 Spontaneous polarization dynamics in V-doped monolayer MoS2 (10.1016/j.commt.2024.100004)
Abstract
27.85 12
8 Physical origin of hafnium-based ferroelectricity (10.1016/j.commt.2024.100010)
Abstract
27.85 12
9 Extrinsic dielectric response due to domain wall motion in f… (10.1016/j.commt.2024.100016)
Abstract
26.98 11
10 Emergence of superconductivity and superionicity in the elec… (10.1016/j.commt.2024.100017)
Abstract
26.98 11
11 A machine learning-assisted exploration of the structural st… (10.1016/j.commt.2024.100024)
Abstract
26.03 10
12 Ab initio informed machine learning potential for tribochemi… (10.1016/j.commt.2024.100005)
Abstract
25.00 9
13 Recent progresses on high entropy alloy development using ma… (10.1016/j.commt.2025.100038)
Abstract
25.00 9
14 Chiral magnons in an altermagnetic Janus… (10.1016/j.commt.2024.100021)
Abstract
23.86 8
15 DFT-simulated Mg2+ and Ca2+-containing silicates, aluminates… (10.1016/j.commt.2025.100034)
Abstract ORCID
23.86 2
16 High-temperature superconducting electride in compressed lit… (10.1016/j.commt.2025.100035)
Abstract
23.86 8
17 What's behind their various activities? Discerning the impor… (10.1016/j.commt.2024.100001)
Abstract
21.13 6
18 C60 building blocks with tuneable structures for tailored fu… (10.1016/j.commt.2025.100030)
Abstract
21.13 6
19 The development and applications of semiclassical initial va… (10.1016/j.commt.2025.100032)
Abstract
19.45 5
20 Ambient pressure high temperature superconductivity in RbPH3… (10.1016/j.commt.2025.100043)
Abstract
19.45 5
21 The emerging age of computational materials – Introducing co… (10.1016/j.commt.2024.100006)
Abstract ORCID
15.05 1
22 Unveiling Novel Direct Bandgap Allotropes of Germanium: A Co… (10.1016/j.commt.2024.100009)
Abstract
15.05 3
23 Recent progress on photoinduced phase transitions in materia… (10.1016/j.commt.2024.100012)
Abstract
15.05 3
24 Water transport through monolayer fullerene membrane (10.1016/j.commt.2024.100013)
Abstract
15.05 3
25 Electronic and topological characters of the ideal magnetic… (10.1016/j.commt.2024.100022)
Abstract ORCID
15.05 1
26 Elemental augmentation of machine learning interatomic poten… (10.1016/j.commt.2025.100026)
Abstract
15.05 3
27 Two-dimensional ferroelectric metal CuCrX2 (X = S, Se) for e… (10.1016/j.commt.2025.100029)
Abstract
15.05 3
28 A Generalized Bond Switching Monte Carlo method for amorphou… (10.1016/j.commt.2025.100031)
Abstract
15.05 3
29 Data-driven integration of synthetic representative volume e… (10.1016/j.commt.2024.100011)
Abstract
11.93 2
30 Correlating local lattice distortion with dislocation pinnin… (10.1016/j.commt.2025.100028)
Abstract
11.93 2
31 Accurate polymorphous description of the paramagnetic phases… (10.1016/j.commt.2024.100007)
Abstract
7.53 1
32 Nevanlinna analytic continuation for Migdal–Eliashberg theor… (10.1016/j.commt.2024.100015)
Abstract
7.53 1
33 Exact average many-body interatomic interaction model for ra… (10.1016/j.commt.2024.100018)
Abstract
7.53 1
34 Significant temperature tunability of the band gap in two-di… (10.1016/j.commt.2024.100019)
Abstract
7.53 1
35 Quasiparticle description of angle-resolved photoemission sp… (10.1016/j.commt.2025.100041)
Abstract
7.53 1
36 Machine-learning-guided discovery of direct-gap Si-Ge alloys… (10.1016/j.commt.2025.100045)
Abstract
7.53 1
37 Deepcluster agent to search global minimum of nanoclusters u… (10.1016/j.commt.2026.100048)
Abstract
7.53 1
38 Machine learning driven exploration of hydride superconducto… (10.1016/j.commt.2026.100052)
Abstract
7.53 1
39 Novel bora- and aza-triangulene-based graphyne and graphdiyn… (10.1016/j.commt.2026.100057)
Abstract
7.53 1
40 Hierarchical information tree (10.1016/j.commt.2025.100033)
Abstract
0.00 0
41 Interfacial properties and electronic structures of Pu/PuO2… (10.1016/j.commt.2025.100036)
Abstract
0.00 0
42 Atomistic simulations of dielectric screening in large scale… (10.1016/j.commt.2025.100037)
Abstract
0.00 0
43 GPUTB: Efficient machine learning tight-binding method for l… (10.1016/j.commt.2025.100039)
Abstract
0.00 0
44 Volcano-like relation between surface confinement and heat g… (10.1016/j.commt.2025.100040)
Abstract
0.00 0
45 Accelerated and efficient modeling of low-κ organosilicate g… (10.1016/j.commt.2025.100042)
Abstract
0.00 0
46 Molecular dynamics simulation of diffusion and its microscop… (10.1016/j.commt.2025.100044)
Abstract ORCID
0.00 0
47 Multiscale simulation of vacancy-induced defects in carbon n… (10.1016/j.commt.2026.100046)
Abstract
0.00 0
48 Engineering strain-induced direct bandgap in high-order sili… (10.1016/j.commt.2026.100047)
Abstract
0.00 0
49 First-principles yet high-throughput screening of grafting-m… (10.1016/j.commt.2026.100049)
Abstract
0.00 0
50 Extreme quantum confinement and emergent phenomena in one-di… (10.1016/j.commt.2026.100050)
Abstract
0.00 0