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(2016) npj Computational Materials Vol. 2. Springer Science and Business Media LLC

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Reference TypeJournal (volume)
Journalnpj Computational Materials
Year2016Volume<   2   >
PublisherSpringer Science and Business Media LLC
Mindat Ref. ID17678561Long-form Identifiermindat:1:5:17678561:3
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Full Reference(2016) npj Computational Materials Vol. 2. Springer Science and Business Media LLC
Plain Text(2016) npj Computational Materials Vol. 2. Springer Science and Business Media LLC
InSpringer Science and Business Media LLC - npj Computational Materials

Contains

Ward, Logan, Agrawal, Ankit, Choudhary, Alok, Wolverton, Christopher (2016) A general-purpose machine learning framework for predicting properties of inorganic materials. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.28
Zhang, Lei, Ren, Weiqing, Samanta, Amit, Du, Qiang (2016) Recent developments in computational modelling of nucleation in phase transformations. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.3
Nikolaev, Pavel, Hooper, Daylond, Webber, Frederick, Rao, Rahul, Decker, Kevin, Krein, Michael, Poleski, Jason, Barto, Rick, Maruyama, Benji (2016) Autonomy in materials research: a case study in carbon nanotube growth. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.31
El-Mellouhi, Fedwa, Bentria, El Tayeb, Marzouk, Asma, Rashkeev, Sergey N, Kais, Sabre, Alharbi, Fahhad H (2016) Hydrogen bonding: a mechanism for tuning electronic and optical properties of hybrid organic–inorganic frameworks. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.35
Mahjoub, Reza, Hamilton, Nicholas E, Laws, Kevin J, Ferry, Michael (2016) Softening of phonon spectra in metallic glasses. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.29
Zhang, Wen-Zheng, Gu, Xin-Fu, Dai, Fu-Zhi (2016) Faceted interfaces: a key feature to quantitative understanding of transformation morphology. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.21
Tan, Liang Z, Zheng, Fan, Young, Steve M, Wang, Fenggong, Liu, Shi, Rappe, Andrew M (2016) Shift current bulk photovoltaic effect in polar materials—hybrid and oxide perovskites and beyond. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.26
Ren, Guang-Kun, Lan, Jin-Le, Ventura, Kyle J, Tan, Xing, Lin, Yuan-Hua, Nan, Ce-Wen (2016) Contribution of point defects and nano-grains to thermal transport behaviours of oxide-based thermoelectrics. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.23
Zhou, Fei, Sadigh, Babak, Erhart, Paul, Åberg, Daniel (2016) Ab initio prediction of fast non-equilibrium transport of nascent polarons in SrI2: a key to high-performance scintillation. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.22
Béland, Laurent Karim, Osetsky, Yuri N, Stoller, Roger E (2016) Atomistic material behavior at extreme pressures. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.7
Ziebert, Falko, Aranson, Igor S (2016) Computational approaches to substrate-based cell motility. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.19
Mangeri, John, Pitike, Krishna C, Alpay, S Pamir, Nakhmanson, Serge (2016) Amplitudon and phason modes of electrocaloric energy interconversion. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.20
Miyazaki, Narumasa, Wakeda, Masato, Wang, Yun-Jiang, Ogata, Shigenobu (2016) Prediction of pressure-promoted thermal rejuvenation in metallic glasses. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.13
Seita, Matteo, Volpi, Marco, Patala, Srikanth, McCue, Ian, Schuh, Christopher A, Diamanti, Maria Vittoria, Erlebacher, Jonah, Demkowicz, Michael J (2016) A high-throughput technique for determining grain boundary character non-destructively in microstructures with through-thickness grains. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.16
Rudraraju, Shiva, Van der Ven, Anton, Garikipati, Krishna (2016) Mechanochemical spinodal decomposition: a phenomenological theory of phase transformations in multi-component, crystalline solids. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.12
Lu, Yunhao, Zhou, Di, Chang, Guoqing, Guan, Shan, Chen, Weiguang, Jiang, Yinzhu, Jiang, Jianzhong, Wang, Xue-sen, Yang, Shengyuan A, Feng, Yuan Ping, et al. (2016) Multiple unpinned Dirac points in group-Va single-layers with phosphorene structure. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.11
Velev, Julian P, Burton, John D, Zhuravlev, Mikhail Ye, Tsymbal, Evgeny Y (2016) Predictive modelling of ferroelectric tunnel junctions. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.9
Urban, Alexander, Seo, Dong-Hwa, Ceder, Gerbrand (2016) Erratum: Computational understanding of Li-ion batteries. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.10
Wang, Yi, Shang, Shun-Li, Fang, Huazhi, Liu, Zi-Kui, Chen, Long-Qing (2016) First-principles calculations of lattice dynamics and thermal properties of polar solids. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.6
Sun, Ligang, He, Xiaoqiao, Lu, Jian (2016) Super square carbon nanotube network: a new promising water desalination membrane. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.4
Senftle, Thomas P, Hong, Sungwook, Islam, Md Mahbubul, Kylasa, Sudhir B, Zheng, Yuanxia, Shin, Yun Kyung, Junkermeier, Chad, Engel-Herbert, Roman, Janik, Michael J, Aktulga, Hasan Metin, et al. (2016) The ReaxFF reactive force-field: development, applications and future directions. npj Computational Materials, 2. doi:10.1038/npjcompumats.2015.11
Yang, Jiong, Xi, Lili, Qiu, Wujie, Wu, Lihua, Shi, Xun, Chen, Lidong, Yang, Jihui, Zhang, Wenqing, Uher, Ctirad, Singh, David J (2016) On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective. npj Computational Materials, 2. doi:10.1038/npjcompumats.2015.15
Xiong, Wei, Olson, Gregory B (2016) Cybermaterials: materials by design and accelerated insertion of materials. npj Computational Materials, 2. doi:10.1038/npjcompumats.2015.9
Xu, Shuozhi, Xiong, Liming, Chen, Youping, McDowell, David L (2016) Sequential slip transfer of mixed-character dislocations across Σ3 coherent twin boundary in FCC metals: a concurrent atomistic-continuum study. npj Computational Materials, 2. doi:10.1038/npjcompumats.2015.16
Lavrskyi, Mykola, Zapolsky, Helena, Khachaturyan, Armen G (2016) Quasiparticle approach to diffusional atomic scale self-assembly of complex structures: from disorder to complex crystals and double-helix polymers. npj Computational Materials, 2. doi:10.1038/npjcompumats.2015.13
Li, Hai-Feng (2016) Possible ground states and parallel magnetic-field-driven phase transitions of collinear antiferromagnets. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.32
Urban, Alexander, Seo, Dong-Hwa, Ceder, Gerbrand (2016) Computational understanding of Li-ion batteries. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.2
Medasani, Bharat, Gamst, Anthony, Ding, Hong, Chen, Wei, Persson, Kristin A, Asta, Mark, Canning, Andrew, Haranczyk, Maciej (2016) Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machine learning. npj Computational Materials, 2. doi:10.1038/s41524-016-0001-z
Shao, Jian, Zhang, Xiaoyue, Chen, Yun, Zheng, Yue (2016) Charge carrier transition in an ambipolar single-molecule junction: Its mechanical-modulation and reversibility. npj Computational Materials, 2. doi:10.1038/s41524-016-0003-x

See Also

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