Learning atoms for materials discovery
暂无分享,去创建一个
Shou-Cheng Zhang | Quan Zhou | Jinbo Pan | Qimin Yan | Peizhe Tang | Shenxiu Liu | Shou-Cheng Zhang | Q. Yan | Quan Zhou | Peizhe Tang | Shenxiu Liu | Jinbo Pan | Shoucheng Zhang
[1] Felix A Faber,et al. Crystal structure representations for machine learning models of formation energies , 2015, 1503.07406.
[2] N. N. Greenwood,et al. Chemistry of the elements , 1984 .
[3] Guigang Zhang,et al. Deep Learning , 2016, Int. J. Semantic Comput..
[4] Quoc V. Le,et al. Sequence to Sequence Learning with Neural Networks , 2014, NIPS.
[5] Jeffrey Pennington,et al. GloVe: Global Vectors for Word Representation , 2014, EMNLP.
[6] Byoungwoo Kang,et al. Battery materials for ultrafast charging and discharging , 2009, Nature.
[7] Demis Hassabis,et al. Mastering the game of Go without human knowledge , 2017, Nature.
[8] Tara N. Sainath,et al. FUNDAMENTAL TECHNOLOGIES IN MODERN SPEECH RECOGNITION Digital Object Identifier 10.1109/MSP.2012.2205597 , 2012 .
[9] Kristin A. Persson,et al. Commentary: The Materials Project: A materials genome approach to accelerating materials innovation , 2013 .
[10] Claudia Felser,et al. Tunable multifunctional topological insulators in ternary Heusler compounds. , 2010, Nature materials.
[11] Marco Buongiorno Nardelli,et al. The high-throughput highway to computational materials design. , 2013, Nature materials.
[12] A. Choudhary,et al. Perspective: Materials informatics and big data: Realization of the “fourth paradigm” of science in materials science , 2016 .
[13] Geoffrey E. Hinton,et al. ImageNet classification with deep convolutional neural networks , 2012, Commun. ACM.
[14] Samuel S. Schoenholz,et al. Fast machine learning models of electronic and energetic properties consistently reach approximation errors better than DFT accuracy , 2017 .
[15] Alexandre Tkatchenko,et al. Quantum-chemical insights from deep tensor neural networks , 2016, Nature Communications.
[16] Zellig S. Harris,et al. Distributional Structure , 1954 .
[17] J. Nørskov,et al. Towards the computational design of solid catalysts. , 2009, Nature chemistry.
[18] Christopher M. Bishop,et al. Pattern Recognition and Machine Learning (Information Science and Statistics) , 2006 .
[19] Samuel S. Schoenholz,et al. Neural Message Passing for Quantum Chemistry , 2017, ICML.
[20] Geoffrey E. Hinton,et al. Deep Learning , 2015, Nature.
[21] Vijay S. Pande,et al. Molecular graph convolutions: moving beyond fingerprints , 2016, Journal of Computer-Aided Molecular Design.
[22] Jeffrey Dean,et al. Distributed Representations of Words and Phrases and their Compositionality , 2013, NIPS.
[23] Shay B. Cohen,et al. Advances in Neural Information Processing Systems 25 , 2012, NIPS 2012.
[24] J. Glodo,et al. Tl2LiYCl6:Ce: A New Elpasolite Scintillator , 2016, IEEE Transactions on Nuclear Science.
[25] Felix A Faber,et al. Machine Learning Energies of 2 Million Elpasolite (ABC_{2}D_{6}) Crystals. , 2015, Physical review letters.
[26] Alok Choudhary,et al. Combinatorial screening for new materials in unconstrained composition space with machine learning , 2014 .
[27] Paul Raccuglia,et al. Machine-learning-assisted materials discovery using failed experiments , 2016, Nature.
[28] K. Müller,et al. Fast and accurate modeling of molecular atomization energies with machine learning. , 2011, Physical review letters.
[29] J. Vybíral,et al. Big data of materials science: critical role of the descriptor. , 2014, Physical review letters.
[30] Ryan P. Adams,et al. Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach. , 2016, Nature materials.
[31] Demis Hassabis,et al. Mastering the game of Go with deep neural networks and tree search , 2016, Nature.
[32] Christopher Potts,et al. Recursive Deep Models for Semantic Compositionality Over a Sentiment Treebank , 2013, EMNLP.
[33] James Theiler,et al. Accelerated search for materials with targeted properties by adaptive design , 2016, Nature Communications.
[34] Zellig S. Harris,et al. Distributional Structure , 1954 .
[35] T. Landauer,et al. A Solution to Plato's Problem: The Latent Semantic Analysis Theory of Acquisition, Induction, and Representation of Knowledge. , 1997 .