Prediction of ABX 3 Perovskite Formation Energy Using Machine Learning.
- Published in:
- Materials (1996-1944), 2025, v. 18, n. 13, p. 2927, doi. 10.3390/ma18132927
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- Publication type:
- Article
Works matching DE "ATOMIC interactions"
Results: 298
1
2
Information-entropy-driven generation of material-agnostic datasets for machine-learning interatomic potentials.
- Published in:
- NPJ Computational Materials, 2025, v. 11, n. 1, p. 1, doi. 10.1038/s41524-025-01602-9
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- Publication type:
- Article
3
New performances to the perturbed rotation dynamics of the two-dimensional homogeneous Bose–Einstein condensates.
- Published in:
- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2025, v. 80, n. 7, p. 575, doi. 10.1515/zna-2025-0082
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- Publication type:
- Article
4
Atomically Modulating Metal‐Support Interactions by Isolated Co‐N<sub>4</sub> Sites for Efficient Hydrogen Oxidation Catalysis.
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- Advanced Functional Materials, 2025, v. 35, n. 27, p. 1, doi. 10.1002/adfm.202419609
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- Publication type:
- Article
5
Atomic Interaction Mechanism of Heterogeneous Nucleation in Mg-Al Alloys Achieved by Carbon Inoculation.
- Published in:
- Metals (2075-4701), 2025, v. 15, n. 6, p. 594, doi. 10.3390/met15060594
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- Publication type:
- Article
6
Studies of Parity Violation in Atoms.
- Published in:
- Annalen der Physik, 2025, v. 537, n. 2, p. 1, doi. 10.1002/andp.202400261
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- Publication type:
- Article
7
The Roles of Thomson and Rutherford in the Birth of Atomic Physics:The Interaction of Experiment and Theory.
- Published in:
- Annalen der Physik, 2024, v. 536, n. 8, p. 1, doi. 10.1002/andp.202400090
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- Publication type:
- Article
8
Electron Density Analysis for the H2+ System Confined by Hard Walls: The Chemical Bond Under Extreme Conditions.
- Published in:
- Annalen der Physik, 2019, v. 531, n. 7, p. N.PAG, doi. 10.1002/andp.201800476
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- Publication type:
- Article
9
Behavior of Ti-doped CoCrFeMoNi High Entropy Alloy.
- Published in:
- 2023
- By:
- Publication type:
- Abstract
10
Application of Atomic Interferometers in Gravimetry.
- Published in:
- Measurement Techniques, 2015, v. 57, n. 12, p. 1333, doi. 10.1007/s11018-015-0630-5
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- Publication type:
- Article
11
On the in-plane failure and post-failure behaviour of pristine and perforated single-layer graphene sheets.
- Published in:
- Mathematics & Mechanics of Solids, 2019, v. 24, n. 11, p. 3418, doi. 10.1177/1081286519833129
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- Publication type:
- Article
12
A spatial hierarchical network learning framework for drug repositioning allowing interpretation from macro to micro scale.
- Published in:
- Communications Biology, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s42003-024-07107-3
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- Publication type:
- Article
13
Molecular Dynamics Study of the Hydrogen and Carbon Effect on Mobility of Grain Boundaries in α-Iron.
- Published in:
- Metallophysics & Advanced Technologies / Metallofizika i Novejsie Tehnologii, 2019, v. 41, n. 9, p. 1187, doi. 10.15407/mfint.41.09.1187
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- Publication type:
- Article
14
高压下金属卤素钙钛矿的结构和性质演化研究进展.
- Published in:
- Chinese Journal of High Pressure Physics, 2024, v. 38, n. 5, p. 1, doi. 10.11858/gywlxb.20230768
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- Publication type:
- Article
15
The incommensurate crystal structure of the Pd<sub>5</sub>B<sub>1-z</sub> phase; B ordering driven by elastic interaction between B atoms.
- Published in:
- Zeitschrift für Kristallographie. Crystalline Materials, 2014, v. 229, n. 5, p. 353, doi. 10.1515/zkri-2013-1710
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- Publication type:
- Article
16
Quantum Mechanical Metric for Internal Cohesion in Cement Crystals.
- Published in:
- Scientific Reports, 2014, p. 1, doi. 10.1038/srep07332
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- Publication type:
- Article
17
Space charge neutralization by electron-transparent suspended graphene.
- Published in:
- Scientific Reports, 2014, p. 1, doi. 10.1038/srep03764
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- Publication type:
- Article
18
Peculiarities of Electron-Electron Interaction in Quantum-Dimensional Objects.
- Published in:
- Journal of Nano- & Electronic Physics, 2018, v. 10, n. 2, p. 1, doi. 10.21272/jnep.10(2).02003
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- Publication type:
- Article
19
Correction to: Interaction effects on atomic laboratory trapped Bose-Einstein condensates.
- Published in:
- 2022
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- Publication type:
- Correction Notice
20
Theoretical investigation of the structures of unsupported 38-atom CuPt clusters.
- Published in:
- European Physical Journal B: Condensed Matter, 2018, v. 91, n. 6, p. 1, doi. 10.1140/epjb/e2018-90020-2
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- Publication type:
- Article
21
An approach to the resolution of dispute on collective atomic interactions.
- Published in:
- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-54552-z
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- Publication type:
- Article
22
Quantifying the ultimate limit of plasmonic near-field enhancement.
- Published in:
- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-53210-8
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- Publication type:
- Article
23
Direct Observation of Alternating Octahedral and Prismatic Sodium Layers in O3‐Type Transition Metal Oxides.
- Published in:
- Advanced Energy Materials, 2020, v. 10, n. 31, p. 1, doi. 10.1002/aenm.202001151
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- Publication type:
- Article
24
Evaluation of the Interaction of Curcumin and Nigella Sativa on Brain Antitumor Molecule Using an Equilibrium Dynamics Simulation Tool for Biomedical Applications.
- Published in:
- Nano Biomedicine & Engineering, 2022, v. 14, n. 4, p. 349, doi. 10.5101/nbe.v14i4.p349-359
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- Publication type:
- Article
25
A Molecular Dynamic Approach to a Theory on the Dynamical Behaviour of HIV (3LPU Protein) - Water Molecules Interactions in Atomic Structures.
- Published in:
- Nano Biomedicine & Engineering, 2022, v. 14, n. 2, p. 159, doi. 10.5101/nbe.v14i2.p159-166
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- Publication type:
- Article
26
Small Molecule HIV-1 Attachment Inhibitors: Discovery, Mode of Action and Structural Basis of Inhibition.
- Published in:
- Viruses (1999-4915), 2021, v. 13, n. 5, p. 843, doi. 10.3390/v13050843
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- Publication type:
- Article
27
Visualizing HIV-1 Capsid and Its Interactions with Antivirals and Host Factors.
- Published in:
- Viruses (1999-4915), 2021, v. 13, n. 2, p. 246, doi. 10.3390/v13020246
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- Publication type:
- Article
28
A molecular dynamics study of nanoscale titanium nitrides formation in ferrite.
- Published in:
- Modern Physics Letters B, 2020, v. 34, n. 10, p. N.PAG, doi. 10.1142/S0217984920500992
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- Publication type:
- Article
29
Correlation effects studied based on Debye–Waller factors. Application to fcc crystals.
- Published in:
- Modern Physics Letters B, 2019, v. 33, n. 20, p. N.PAG, doi. 10.1142/S0217984919502373
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- Publication type:
- Article
30
The influence of the classical homogenous gravitational field on interaction of a three-level atom with a single mode cavity field.
- Published in:
- Modern Physics Letters B, 2015, v. 29, n. 29, p. -1, doi. 10.1142/S0217984915501754
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- Publication type:
- Article
31
DAMPING IN TWO-COMPONENT BOSE GAS.
- Published in:
- Modern Physics Letters B, 2014, v. 28, n. 4, p. -1, doi. 10.1142/S0217984914500298
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- Publication type:
- Article
32
Review on the gelation of wax and pour point depressant in crude oil multiphase system.
- Published in:
- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2021, v. 35, n. 12, p. N.PAG, doi. 10.1142/S021797922130005X
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- Publication type:
- Article
33
Ab Initio Study of Near-Threshold Neutron Resonances of the Be Nucleus.
- Published in:
- Physics of Atomic Nuclei, 2022, v. 85, n. 6, p. 836, doi. 10.1134/S1063778823010490
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- Publication type:
- Article
34
Inducing Covalent Atomic Interaction in Intermetallic Pt Alloy Nanocatalysts for High‐Performance Fuel Cells.
- Published in:
- Angewandte Chemie, 2023, v. 135, n. 23, p. 1, doi. 10.1002/ange.202302134
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- Publication type:
- Article
35
Interplay of Atomic Interactions in the Intermetallic Semiconductor Be<sub>5</sub>Pt.
- Published in:
- Angewandte Chemie, 2019, v. 131, n. 44, p. 16075, doi. 10.1002/ange.201909782
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- Publication type:
- Article
36
Thermal buckling of functionally graded piezomagnetic micro- and nanobeams presenting the flexomagnetic effect.
- Published in:
- Continuum Mechanics & Thermodynamics, 2022, v. 34, n. 4, p. 1051, doi. 10.1007/s00161-021-01038-8
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- Publication type:
- Article
37
Small molecule generation via disentangled representation learning.
- Published in:
- Bioinformatics, 2022, v. 38, n. 12, p. 3200, doi. 10.1093/bioinformatics/btac296
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- Publication type:
- Article
38
computational methodology to diagnose sequence-variant dynamic perturbations by comparing atomic protein structures.
- Published in:
- Bioinformatics, 2022, v. 38, n. 3, p. 703, doi. 10.1093/bioinformatics/btab736
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- Publication type:
- Article
39
INTERCAAT: identifying interface residues between macromolecules.
- Published in:
- Bioinformatics, 2022, v. 38, n. 2, p. 554, doi. 10.1093/bioinformatics/btab596
- By:
- Publication type:
- Article
40
NRGTEN Python package: an extensible toolkit for coarse-grained normal mode analysis of proteins, nucleic acids, small molecules and their complexes.
- Published in:
- Bioinformatics, 2021, v. 37, n. 19, p. 3369, doi. 10.1093/bioinformatics/btab189
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- Publication type:
- Article
41
DockIT: a tool for interactive molecular docking and molecular complex construction.
- Published in:
- Bioinformatics, 2020, v. 36, n. 24, p. 5698, doi. 10.1093/bioinformatics/btaa1059
- By:
- Publication type:
- Article
42
Transferable machine learning model for multi-target nanoscale simulations in hydrogen-carbon system from crystal to amorphous.
- Published in:
- NPJ Computational Materials, 2025, v. 11, n. 1, p. 1, doi. 10.1038/s41524-025-01629-y
- By:
- Publication type:
- Article
43
Temperature dependence for the synthetic magnetization of a rotating Bose gas in harmonic trap.
- Published in:
- Turkish Journal of Physics, 2013, v. 37, n. 1, p. 30, doi. 10.3906/fiz-1205-1
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- Publication type:
- Article
44
Monte Carlo Simulations of the Interaction of <sup>55</sup>Mn with 14.7-MeV Protons Produced by D+<sup>3</sup>He Fusion Reaction.
- Published in:
- Fusion Science & Technology, 2025, v. 81, n. 2, p. 99, doi. 10.1080/15361055.2024.2347685
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- Publication type:
- Article
45
Farklı Hızlarda Soğutulan Sıvı Cu Kümeli Yapısındaki Faz Dönüşümüne Basıncın Etkisi: Moleküler Dinamik Çalışması.
- Published in:
- Journal of the Institute of Science & Technology / Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi, 2019, v. 9, n. 4, p. 2009, doi. 10.21597/jist.533009
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- Publication type:
- Article
46
Unraveling Desmin's Head Domain Structure and Function.
- Published in:
- Cells (2073-4409), 2024, v. 13, n. 7, p. 603, doi. 10.3390/cells13070603
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- Publication type:
- Article
47
pMHC Structural Comparisons as a Pivotal Element to Detect and Validate T-Cell Targets for Vaccine Development and Immunotherapy—A New Methodological Proposal.
- Published in:
- Cells (2073-4409), 2019, v. 8, n. 12, p. 1488, doi. 10.3390/cells8121488
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- Publication type:
- Article
48
Insights into the Reactivity of Gd 2−x Sr x Fe 2 O 7 (x = 0 ÷ 0.4) in CO Radical Hydrogenation.
- Published in:
- Catalysts (2073-4344), 2023, v. 13, n. 9, p. 1256, doi. 10.3390/catal13091256
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- Publication type:
- Article
49
Rietveld Refinement and X-ray Absorption Study on the Bonding States of Lanthanum-Based Perovskite-Type Oxides La 1− x Ce x CoO 3.
- Published in:
- Crystals (2073-4352), 2022, v. 12, n. 1, p. 50, doi. 10.3390/cryst12010050
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- Publication type:
- Article
50
The Interplay between Various σ- and π-Hole Interactions of Trigonal Boron and Trigonal Pyramidal Arsenic Triiodides.
- Published in:
- Crystals (2073-4352), 2017, v. 7, n. 7, p. 19, doi. 10.3390/cryst7070225
- By:
- Publication type:
- Article