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Christina Ertural

materials chemistry department

12H指数
66论文数
2.2K被引数
收录论文 14
发表时间
A Python workflow definition for computational materials design计算材料设计的一个Python工作流定义
err2025-10-10
err0
errOAAI
errJan Janssen; Janine George; Julian Geiger; Marnik Bercx; Xing Wang; Christina Ertural; Jörg Schaarschmidt; Alexander Miguel Ganose; Giovanni Pizzi; Tilmann Hickel; Jörg Neugebauer
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Correction: Atomate2: modular workflows for materials science更正:Atomate2:材料科学的模块化工作流
err2025-08-19
err0
errOAAI
errAlex M. Ganose; Hrushikesh Sahasrabuddhe; Mark Asta; Kevin Beck; Tathagata Biswas; Alexander Bonkowski; Joana Bustamante; Xin Chen; Yuan Chiang; Daryl C. Chrzan; Jacob Clary; Orion A. Cohen; Christina Ertural; Max C. Gallant; Janine George; Sophie Gerits; Rhys E. A. Goodall; Rishabh D. Guha; Geoffroy Hautier; Matthew Horton; T. J. Inizan; Aaron D. Kaplan; Ryan S. Kingsbury; Matthew C. Kuner; Bryant Li; Xavier Linn; Matthew J. McDermott; Rohith Srinivaas Mohanakrishnan; Aakash A. Naik; Jeffrey B. Neaton; Shehan M. Parmar; Kristin A. Persson; Guido Petretto; Thomas A. R. Purcell; Francesco Ricci; Benjamin Rich; Janosh Riebesell; Gian-Marco Rignanese; Andrew S. Rosen; Matthias Scheffler; Jonathan Schmidt; Jimmy-Xuan Shen; Andrei Sobolev; Ravishankar Sundararaman; Cooper Tezak; Victor Trinquet; Joel B. Varley; Derek Vigil-Fowler; Duo Wang; David Waroquiers; Mingjian Wen; Han Yang; Hui Zheng; Jiongzhi Zheng; Zhuoying Zhu; Anubhav Jain
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An automated framework for exploring and learning potential-energy surfaces用于探索和学习势能面的自动化框架
err2025-08-18
err0
errOAAI
errYuanbin Liu; Joe D. Morrow; Christina Ertural; Natascia L. Fragapane; John L. A. Gardner; Aakash A. Naik; Yuxing Zhou; Janine George; Volker L. Deringer
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Atomate2: modular workflows for materials scienceAtomate2:材料科学中的模块化工作流
err2025-07-26
err0
errOAAI
errAlex M. Ganose; Hrushikesh Sahasrabuddhe; Mark Asta; Kevin Beck; Tathagata Biswas; Alexander Bonkowski; Joana Bustamante; Xin Chen; Yuan Chiang; Daryl C. Chrzan; Jacob Clary; Orion A. Cohen; Christina Ertural; Max C. Gallant; Janine George; Sophie Gerits; Rhys E. A. Goodall; Rishabh D. Guha; Geoffroy Hautier; Matthew Horton; T. J. Inizan; Aaron D. Kaplan; Ryan S. Kingsbury; Matthew C. Kuner; Bryant Li; Xavier Linn; Matthew J. McDermott; Rohith Srinivaas Mohanakrishnan; Aakash N. Naik; Jeffrey B. Neaton; Shehan M. Parmar; Kristin A. Persson; Guido Petretto; Thomas A. R. Purcell; Francesco Ricci; Benjamin Rich; Janosh Riebesell; Gian-Marco Rignanese; Andrew S. Rosen; Matthias Scheffler; Jonathan Schmidt; Jimmy-Xuan Shen; Andrei Sobolev; Ravishankar Sundararaman; Cooper Tezak; Victor Trinquet; Joel B. Varley; Derek Vigil-Fowler; Duo Wang; David Waroquiers; Mingjian Wen; Han Yang; Hui Zheng; Jiongzhi Zheng; Zhuoying Zhu; Anubhav Jain
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Synthetic Engineering in Na2MSn2(NCN)6 (M = Mn, Fe, Co, and Ni) Based on Electronic Structure Theory
err2022-10-28
err9
PREAI
errCorkett, Alex J.; Chen, Zheng; Ertural, Christina; Slabon, Adam; Dronskowski, Richard
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The Orbital Nature of Electron Holes in BaFeO3 and Implications for Defect Chemistry
err2022-07-21
err10
errOAAI
errHoedl, M. F.; Ertural, C.; Merkle, R.; Dronskowski, R.; Maier, J.
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The Orbital Origins of Chemical Bonding in Ge-Sb-Te Phase-Change Materials**
err2022-02-02
err34
errOAAI
errHempelmann, Jan; Mueller, Peter C.; Ertural, Christina; Dronskowski, Richard
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Crystal Orbital Bond Index: Covalent Bond Orders in Solids晶体轨道键指数: 固体中的共价键顺序
err2021-04-07
err171
errOAAI
errMueller, Peter C.; Ertural, Christina; Hempelmann, Jan; Dronskowski, Richard
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Time-dependent density-functional theory molecular-dynamics study on amorphization of Sc-Sb-Te alloy under optical excitation
err2020-04-08
err42
errOAAI
errWang, Xue-Peng; Li, Xian-Bin; Chen, Nian-Ke; Bang, Junhyeok; Nelson, Ryky; Ertural, Christina; Dronskowski, Richard; Sun, Hong-Bo; Zhang, Shengbai
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Achieving band convergence by tuning the bonding ionicity in n-type Mg3Sb2
err2019-03-19
err84
PREAI
errSun, Xin; Li, Xin; Yang, Jiong; Xi, Jinyang; Nelson, Ryky; Ertural, Christina; Dronskowski, Richard; Liu, Weishu; Snyder, Gerald J.; Singh, David J.; Zhang, Wenqing
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Chemical Bonding of Crystalline LnB6 (Ln = La-Lu) and Its Relationship with Ln2B8 Gas-Phase Complexes
err2018-09-27
err63
PREAI
errLi, Wan-Lu; Ertural, Christina; Bogdanovski, Dimitri; Li, Jun; Dronskowski, Richard
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