Works matching DE "ATOMIC interactions"

Results: 298

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

By:

Deng, Ziliang;
Fang, Kailing;
Guo, Chong;
Gong, Zhichao;
Yue, Haojie;
Zhang, Huacheng;
Li, Kang;
Guo, Kun;
Liu, Zhiyong;
Xie, Bing;
Lu, Jinshan;
Yao, Kui;
Tay, Francis Eng Hock

Publication type:

Article

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

By:

P. A. Subramanyam, Aparna;
Perez, Danny

Publication type:

Article

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

By:

Zahran, Emad;
Bekir, Ahmet;
Shehata, Maha

Publication type:

Article

Atomically Modulating Metal‐Support Interactions by Isolated Co‐N4 Sites for Efficient Hydrogen Oxidation Catalysis.

Published in:

Advanced Functional Materials, 2025, v. 35, n. 27, p. 1, doi. 10.1002/adfm.202419609

By:

He, Keyi;
Wei, Shuangying;
Zhou, Qian;
Zhang, Yong;
Li, Dongyang;
Liu, Yilin;
Cai, Weiwei;
Yu, Fang;
Zhou, Haiqing

Publication type:

Article

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

By:

Zhang, Aimin;
Zhu, Ying;
Tao, Kai;
Zhang, Zhiyuan

Publication type:

Article

Studies of Parity Violation in Atoms.

Published in:

Annalen der Physik, 2025, v. 537, n. 2, p. 1, doi. 10.1002/andp.202400261

By:

Nanos, Stefanos;
Papigkiotis, Iraklis;
Antypas, Dionysios

Publication type:

Article

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

By:

Hon, Giora;
Goldstein, Bernard R.

Publication type:

Article

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

By:

Hernández‐Esparza, Raymundo;
Landeros‐Rivera, Bruno;
Vargas, Rubicelia;
Garza, Jorge

Publication type:

Article

Behavior of Ti-doped CoCrFeMoNi High Entropy Alloy.

Published in:

2023

By:

Brito-García, Santiago;
Jiménez-Marcos, Cristina;
Mirza-Rosca, Julia;
Voiculescu, Ionelia

Publication type:

Abstract

Application of Atomic Interferometers in Gravimetry.

Published in:

Measurement Techniques, 2015, v. 57, n. 12, p. 1333, doi. 10.1007/s11018-015-0630-5

By:

Baryshev, V.;
Blinov, I.

Publication type:

Article

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

By:

Genoese, Alessandra;
Genoese, Andrea;
Rizzi, Nicola Luigi;
Salerno, Ginevra

Publication type:

Article

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

By:

Ren, Zhonghao;
Zeng, Xiangxiang;
Lao, Yizhen;
Zheng, Heping;
You, Zhuhong;
Xiang, Hongxin;
Zou, Quan

Publication type:

Article

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

By:

Teus, S. M.;
Gavriljuk, V. G.

Publication type:

Article

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

By:

朱智凯;
栗中杨;
孔令平;
刘罡

Publication type:

Article

The incommensurate crystal structure of the Pd5B1-z 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

By:

Leineweber, Andreas;
Berger, Tilman Georg;
Udyansky, Alexander;
Bugaev, Volodymyr N.

Publication type:

Article

Quantum Mechanical Metric for Internal Cohesion in Cement Crystals.

Published in:

Scientific Reports, 2014, p. 1, doi. 10.1038/srep07332

By:

Dharmawardhana, C. C.;
Misra, A.;
Wai-Yim Ching

Publication type:

Article

Space charge neutralization by electron-transparent suspended graphene.

Published in:

Scientific Reports, 2014, p. 1, doi. 10.1038/srep03764

By:

Srisonphan, Siwapon;
Myungji Kim;
Hong Koo Kim

Publication type:

Article

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

By:

Lukiyanets, B. A.;
Matulka, D. V.

Publication type:

Article

Correction to: Interaction effects on atomic laboratory trapped Bose-Einstein condensates.

Published in:

2022

By:

Briscese, Fabio

Publication type:

Correction Notice

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

By:

Guerrero-Jordan, Josafat;
Cabellos, José Luis;
Johnston, Roy L.;
Posada-Amarillas, Alvaro

Publication type:

Article

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

By:

Polestshuk, Pavel

Publication type:

Article

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

By:

Lu, Zhengyi;
Ji, Jiamin;
Ye, Haiming;
Zhang, Hao;
Zhang, Shunping;
Xu, Hongxing

Publication type:

Article

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

By:

Kim, Jae Chul;
Kwon, Deok‐Hwang;
Yang, Julia H.;
Kim, Hyunchul;
Bo, Shou‐Hang;
Wu, Lijun;
Kim, Haegyeom;
Seo, Dong‐Hwa;
Shi, Tan;
Wang, Jingyang;
Zhu, Yimei;
Ceder, Gerbrand

Publication type:

Article

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

By:

Ghamari, Nakisa;
Heydaripour, Shokoufeh;
Karimi, Zahra;
Farhadi, Rozita;
Ghamari, Nazanin

Publication type:

Article

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

By:

Karimi, Zahra;
Heydaripour, Shokoufeh;
Farhadi, Rozita;
Farhadi, Bita;
Moghadam, Fariba Karami;
Omidi, Mohammad

Publication type:

Article

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

By:

Lai, Yen-Ting;
Acharya, Priyamvada

Publication type:

Article

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

By:

Wilbourne, Morganne;
Zhang, Peijun;
Sarafianos, Stefan G.

Publication type:

Article

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

By:

Lv, Yanan;
Chen, Dong

Publication type:

Article

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

By:

Hung, Nguyen Van;
Vuong, Dinh Quoc

Publication type:

Article

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

By:

Abd El-Wahab, N. H.;
Salah, Ahmed

Publication type:

Article

DAMPING IN TWO-COMPONENT BOSE GAS.

Published in:

Modern Physics Letters B, 2014, v. 28, n. 4, p. -1, doi. 10.1142/S0217984914500298

By:

BHATTACHERJEE, ARANYA B.

Publication type:

Article

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

By:

Xu, Hongmei;
Wang, Yanpu;
Wang, Kun

Publication type:

Article

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

By:

Rodkin, D. M.;
Tchuvil'sky, Yu. M.

Publication type:

Article

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

By:

Liu, Xuan;
Zhao, Zhonglong;
Liang, Jiashun;
Li, Shenzhou;
Lu, Gang;
Priest, Cameron;
Wang, Tanyuan;
Han, Jiantao;
Wu, Gang;
Wang, Xiaoming;
Huang, Yunhui;
Li, Qing

Publication type:

Article

Interplay of Atomic Interactions in the Intermetallic Semiconductor Be5Pt.

Published in:

Angewandte Chemie, 2019, v. 131, n. 44, p. 16075, doi. 10.1002/ange.201909782

By:

Amon, Alfred;
Svanidze, Eteri;
Ormeci, Alim;
König, Marcus;
Kasinathan, Deepa;
Takegami, Daisuke;
Prots, Yurii;
Liao, Yen‐Fa;
Tsuei, Ku‐Ding;
Tjeng, Liu Hao;
Leithe‐Jasper, Andreas;
Grin, Yuri

Publication type:

Article

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

By:

Malikan, Mohammad;
Wiczenbach, Tomasz;
Eremeyev, Victor A.

Publication type:

Article

Small molecule generation via disentangled representation learning.

Published in:

Bioinformatics, 2022, v. 38, n. 12, p. 3200, doi. 10.1093/bioinformatics/btac296

By:

Du, Yuanqi;
Guo, Xiaojie;
Wang, Yinkai;
Shehu, Amarda;
Zhao, Liang

Publication type:

Article

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

By:

Pacini, Lorenza;
Lesieur, Claire

Publication type:

Article

INTERCAAT: identifying interface residues between macromolecules.

Published in:

Bioinformatics, 2022, v. 38, n. 2, p. 554, doi. 10.1093/bioinformatics/btab596

By:

Grudman, Steven;
Fajardo, J Eduardo;
Fiser, Andras

Publication type:

Article

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

By:

Mailhot, Olivier;
Najmanovich, Rafael

Publication type:

Article

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:

Iakovou, Georgios;
Alhazzazi, Mousa;
Hayward, Steven;
Laycock, Stephen D

Publication type:

Article

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:

Chen, Weiqi;
Xu, Zhiyue;
Wang, Kang;
Gao, Lei;
Song, Aisheng;
Ma, Tianbao

Publication type:

Article

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

By:

El-BADRY, Azza M.

Publication type:

Article

Monte Carlo Simulations of the Interaction of 55Mn with 14.7-MeV Protons Produced by D+3He Fusion Reaction.

Published in:

Fusion Science & Technology, 2025, v. 81, n. 2, p. 99, doi. 10.1080/15361055.2024.2347685

By:

Mammadzada, Emil;
Kara, Ayhan

Publication type:

Article

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

By:

KAZANÇ, Sefa

Publication type:

Article

Unraveling Desmin's Head Domain Structure and Function.

Published in:

Cells (2073-4409), 2024, v. 13, n. 7, p. 603, doi. 10.3390/cells13070603

By:

Vlachakis, Dimitrios;
Tsilafakis, Konstantinos;
Kostavasili, Ioanna;
Kossida, Sophia;
Mavroidis, Manolis

Publication type:

Article

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

By:

Vianna, Priscila;
Mendes, Marcus F.A.;
Bragatte, Marcelo A.;
Ferreira, Priscila S.;
Salzano, Francisco M.;
Bonamino, Martin H.;
Vieira, Gustavo F.

Publication type:

Article

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

By:

Sheshko, Tatiana F.;
Borodina, Elizaveta M.;
Yafarova, Liliya V.;
Markova, Ekaterina B.;
Kryuchkova, Tatiana A.;
Cherednichenko, Alexander G.;
Zvereva, Irina A.;
Terent'ev, Alexander O.

Publication type:

Article

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

By:

Nguyen, Duc-Chau;
Chu, Chia-Chin;
Anbalagan, Aswin Kumar;
Lee, Chih-Hao;
Chang, Chia-Seng

Publication type:

Article

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:

Fanfrlík, Jindřich;
Švec, Petr;
Růžičková, Zdeňka;
Hnyk, Drahomír;
Růžička, Aleš;
Hobza, Pavel

Publication type:

Article