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M

Mira Todorova

max planck institute for sustainable materials

20H指数
163论文数
1.9K被引数
收录论文 31
发表时间
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Development and Applications of a Magnetism-Aware General-Purpose Atomic Cluster Expansion Potential for the Fe-O-H Ternary System针对Fe-O-H三元体系的磁化感知通用原子团簇展开势的开发与应用
errAdvanced Science
IF14.1
err2026-07-28
err0
errOAAI
errBaptiste Bienvenu; Mira Todorova; Jörg Neugebauer; Dierk Raabe; Matous Mrovec; Ralf Drautz
err分享
err收藏
User-Defined Electrostatic Potentials in DFT Supercell Calculations: Implementation and Application to Electrified Interfaces用户定义的电势在DFT超胞计算中的应用：实现及其在电化学界面中的应用
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-25
err0
errOAAI
errSamuel Mattoso; Jing Yang; Florian Deißenbeck; Ahmed Abdelkawy; Christoph Freysoldt; Stefan Wippermann; Mira Todorova; Jörg Neugebauer
err分享
err收藏
Development of an atomic cluster expansion potential for iron and its oxides铁及其氧化物的原子团簇展开势的开发
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2025-03-26
err0
errOAAI
errBienvenu, Baptiste; Todorova, Mira; Neugebauer, Joerg; Mrovec, Matous; Lysogorskiy, Yury; Drautz, Ralf
err分享
err收藏
Statistical phase evaluation approach for defect phase diagrams
errPHYSICAL REVIEW B
IF3.7
err2025-02-27
err0
errOAAI
errYang, Jing; Abdelkawy, Ahmed; Todorova, Mira; Neugebauer, Joerg
err分享
err收藏
Revealing the Reaction Pathway of Anodic Hydrogen Evolution at Magnesium Surfaces in Aqueous Electrolytes揭示水电解质中镁表面阳极析氢的反应途径
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-10-25
err0
errOAAI
errDeissenbeck, Florian; Surendralal, Sudarsan; Todorova, Mira; Wippermann, Stefan; Neugebauer, Joerg
err分享
err收藏
Quasi-In Situ Analysis of the Reactive Liquid-Solid Interface during Magnesium Corrosion Using Cryo-Atom Probe Tomography使用低温原子探针层析成像对镁腐蚀过程中反应性液-固界面进行准原位分析
errADVANCED MATERIALS
IF26.8
err2024-06-07
err1
errOAAI
errSchwarz, Tim M.; Yang, Jing; Aota, Leonardo S.; Woods, Eric; Zhou, Xuyang; Neugebauer, Joerg; Todorova, Mira; McCarroll, Ingrid; Gault, Baptiste
err分享
err收藏
Comparative analysis of surface phase diagrams in aqueous environment: Implicit vs explicit solvation models
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-04-25
err2
PREAI
errYang, Jing; Todorova, Mira; Neugebauer, Joerg
err分享
err收藏
Laterally Resolved Free Energy Profiles and Vibrational Spectra of Chemisorbed H Atoms on Pt(111)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-02-07
err0
errOAAI
errSurendralal, Sudarsan; Todorova, Mira; Neugebauer, Jo''rg
err分享
err收藏
High-resolution chemical and structural characterization of the native oxide scale on a Mg-based alloy
errCORROSION SCIENCE
IF8.5
err2024-02-01
err4
PREAI
errNeuss, Deborah; McCarroll, Ingrid E.; Zhang, Siyuan; Woods, Eric; Delis, Wassilios J.; Tanure, Leandro; Springer, Hauke; Sandlobes, Stefanie; Yang, Jing; Todorova, Mira; Zander, Daniela; Scheu, Christina; Schneider, Jochen M.; Hans, Marcus
err分享
err收藏
Construction and analysis of surface phase diagrams to describe segregation and dissolution behavior of Al and Ca in Mg alloys
errPHYSICAL REVIEW MATERIALS
IF3.4
err2023-09-12
err7
errOAAI
errYang, Jing; Kumar, K. B. Sravan; Todorova, Mira; Neugebauer, Joerg
err分享
err收藏
Microscopic Origin of Polarization Charges at GaN/(Al,Ga)N InterfacesGaN/(Al，Ga)N界面极化电荷的微观起源
errPHYSICAL REVIEW APPLIED
IF4.4
err2023-06-12
err11
errOAAI
errYoo, Su-Hyun; Todorova, Mira; Neugebauer, Jorg; Van de Walle, Chris G.
err分享
err收藏
Controlled Doping of Electrocatalysts through Engineering Impurities通过工程杂质控制电催化剂的掺杂
errADVANCED MATERIALS
IF26.8
err2022-06-03
err17
errOAAI
errKim, Se-Ho; Yoo, Su-Hyun; Shin, Sangyong; El-Zoka, Ayman A.; Kasian, Olga; Lim, Joohyun; Jeong, Jiwon; Scheu, Christina; Neugebauer, Joerg; Lee, Hyunjoo; Todorova, Mira; Gault, Baptiste
err分享
err收藏
Understanding Alkali Contamination in Colloidal Nanomaterials to Unlock Grain Boundary Impurity Engineering了解胶体纳米材料中的碱污染以解锁晶界杂质工程
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-01-04
err15
errOAAI
errKim, Se-Ho; Yoo, Su-Hyun; Chakraborty, Poulami; Jeong, Jiwon; Lim, Joohyun; El-Zoka, Ayman A.; Zhou, Xuyang; Stephenson, Leigh T.; Hickel, Tilmann; Neugebauer, Joerg; Scheu, Christina; Todorova, Mira; Gault, Baptiste
err分享
err收藏
Defect phases - thermodynamics and impact on material properties
errINTERNATIONAL MATERIALS REVIEWS
IF15.5
err2021-05-26
err31
errOAAI
errKorte-Kerzel, Sandra; Hickel, Tilmann; Huber, Liam; Raabe, Dierk; Sandloebes-Haut, Stefanie; Todorova, Mira; Neugebauer, Joerg
err分享
err收藏
Finite-size correction for slab supercell calculations of materials with spontaneous polarization自发极化材料平板超单元计算的有限尺寸校正
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2021-04-29
err15
errOAAI
errYoo, Su-Hyun; Todorova, Mira; Wickramaratne, Darshana; Weston, Leigh; Van de Walle, Chris G.; Neugebauer, Joerg
err分享
err收藏
Anharmonic free energy of lattice vibrations in fcc crystals from a mean-field bond
errPHYSICAL REVIEW B
IF3.7
err2020-09-03
err7
errOAAI
errSwinburne, Thomas D.; Janssen, Jan; Todorova, Mira; Simpson, Gideon; Plechac, Petr; Luskin, Mitchell; Neugebauer, Joerg
err分享
err收藏
pyiron: An integrated development environment for computational materials science
errCOMPUTATIONAL MATERIALS SCIENCE
IF3.3
err2019-06-01
err87
errOAAI
errJanssen, Jan; Surendralal, Sudarsan; Lysogorskiy, Yury; Todorova, Mira; Hickel, Tilmann; Drautz, Ralf; Neugebauer, Joerg
err分享
err收藏
Deciphering Charge Transfer and Electronic Polarization Effects at Gold Nanocatalysts on Reduced Titania Support还原二氧化钛载体上的金纳米催化剂上的解密电荷转移和电子极化效应
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2019-02-04
err16
errOAAI
errYoo, Su-Hyun; Siemer, Niklas; Todorova, Mira; Marx, Dominik; Neugebauerr, Joerg
err分享
err收藏
Ab Initio Determined Phase Diagram of Clean and Solvated Muscovite Mica Surfaces
errLANGMUIR
IF3.9
err2016-01-20
err12
PREAI
errVatti, Anoop Kishore; Todorova, Mira; Neugebauer, Joerg
err分享
err收藏
A first principles investigation of zinc induced embrittlement at grain boundaries in bcc ironbcc铁晶界锌致脆化的第一性原理研究
errACTA MATERIALIA
IF9.3
err2015-05-01
err81
PREAI
errBauer, Klaus-Dieter; Todorova, Mira; Hingerl, Kurt; Neugebauer, Joerg
err分享
err收藏

研究方向

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D
Dierk Raabe
H 指数: 178 · 论文数: 2.3K
C
Chris G. Van de Walle
H 指数: 123 · 论文数: 771
J
Jörg Neugebauer
H 指数: 99 · 论文数: 1.3K
A
Angelos Michaelides
H 指数: 84 · 论文数: 399
P
Philippe Marcus
H 指数: 83 · 论文数: 686
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