Publications

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Author Title Type [ Year(Asc)]
2020
Gonze, Xavier, Bernard Amadon, Gabriel Antonius, Frédéric Arnardi, Lucas Baguet, Jean-Michel Beuken, Jordan Bieder, François Bottin, Johann Bouchet, Eric Bousquet, Nils Brouwer, Fabien Bruneval, Guillaume Brunin, Théo Cavignac, Jean-Baptiste Charraud, Wei Chen, Michel Côté, Stefaan Cottenier, Jules Denier, Grégory Geneste, Philippe Ghosez, Matteo Giantomassi, Yannick Gillet, Olivier Gingras, Donald R Hamann, Geoffroy Hautier, Xu He, Nicole Helbig, Natalie Holzwarth, Yongchao Jia, François Jollet, William Lafargue-Dit-Hauret, Kurt Lejaeghere, Miguel AL Marques, Alexandre Martin, Cyril Martins, Henrique PC Miranda, Francesco Naccarato, Kristin A Persson, Guido Petretto, Valentin Planes, Yann Pouillon, Sergei Prokhorenko, Fabio Ricci, Gian-Marco Rignanese, Aldo H Romero, Michael Marcus Schmitt, Marc Torrent, Michiel J van Setten, Benoit Van Troeye, Matthieu J Verstraete, Gilles Zérah, and Josef W Zwanziger. "The Abinitproject: Impact, environment and recent developments." Computer Physics Communications 248 (2020) 107042.
Zheng, Zhiming, Hong-Hui Wu, Haodong Liu, Qiaobao Zhang, Xin He, Sicen Yu, Victoria Petrova, Jun Feng, Robert Kostecki, Ping Liu, Dong-Liang Peng, Meilin Liu, and Ming-Sheng Wang. "Achieving Fast and Durable Lithium Storage through Amorphous FeP Nanoparticles Encapsulated in Ultrathin 3D P-Doped Porous Carbon Nanosheets." ACS Nano 14.8 (2020) 9545 - 9561.
Garg, Sahil, Mengran Li, Adam Z Weber, Lei Ge, Liye Li, Victor Rudolph, Guoxiong Wang, and Thomas E Rufford. "Advances and challenges in electrochemical CO 2 reduction processes: an engineering and design perspective looking beyond new catalyst materials." Journal of Materials Chemistry A 8.4 (2020) 1511 - 1544.
Yi, Eongyu, Hao Shen, Stephen Heywood, Judith Alvarado, Dilworth Y Parkinson, Guoying Chen, Stephen W Sofie, and Marca M Doeff. "All-Solid-State Batteries Using Rationally Designed Garnet Electrolyte Frameworks." ACS Applied Energy Materials 3.1 (2020) 170 - 175.
Zheng, Qiye, Sumanjeet Kaur, Chris Dames, and Ravi S Prasher. "Analysis and improvement of the hot disk transient plane source method for low thermal conductivity materials." International Journal of Heat and Mass Transfer 151 (2020) 119331.
Crafton, Matthew J, Yuan Yue, Tzu‐Yang Huang, Wei Tong, and Bryan D McCloskey. "Anion Reactivity in Cation‐Disordered Rocksalt Cathode Materials: The Influence of Fluorine Substitution." Advanced Energy Materials 10.35 (2020) 2001500.
Spotte‐Smith, Evan WalterCla, Peiyuan Yu, Samuel M Blau, Ravi S Prasher, and Anubhav Jain. "Aqueous Diels–Alder reactions for thermochemical storage and heat transfer fluids identified using density functional theory." Journal of Computational Chemistry 41.24 (2020) 2137 - 2150.
Gehbauer, Christoph, David Blum, Taoning Wang, and Eleanor S Lee. "An assessment of the load modifying potential of model predictive controlled dynamic facades within the California context." Energy and Buildings 210 (2020) 109762.

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Zhu, Jian, Soroosh Sharifi-Asl, Juan C Garcia, Hakim H Iddir, Jason R Croy, Reza Shahbazian-Yassar, and Guoying Chen. "Atomic-Level Understanding of Surface Reconstruction Based on Li[NixMnyCo1–x–y]O2 Single-Crystal Studies." ACS Applied Energy Materials 3.5 (2020) 4799 - 4811.
Smidt, Tess E, Stephanie A Mack, Sebastian E Reyes-Lillo, Anubhav Jain, and Jeffrey B Neaton. "An automatically curated first-principles database of ferroelectrics." Scientific Data 7.1 (2020).
Sankur, Michael D, Maxime Baudette, Jason S MacDonald, and Daniel Arnold. "Batch Measurement Extremum Seeking Control of Distributed Energy Resources to Account for Communication Delays and Information Loss." Hawaii International Conference on System SciencesProceedings of the 53rd Hawaii International Conference on System Sciences. Trans. Bui, Tung. Hawaii International Conference on System Sciences, 2020.
Kotzur, Leander, Peter Markewitz, Martin Robinius, Gonçalo Cardoso, Peter Stenzel, Miguel Heleno, and Detlef Stolten. "Bottom-up energy supply optimization of a national building stock." Energy and Buildings 209 (2020) 109667.
Pan, Yuelei, Xudong Cheng, Mengyao Gao, Yanbao Fu, Jun Feng, Lunlun Gong, Hoda Ahmed, Heping Zhang, and Vincent S Battaglia. "Cagelike CoSe2@N-Doped Carbon Aerogels with Pseudocapacitive Properties as Advanced Materials for Sodium-Ion Batteries with Excellent Rate Performance and Cyclic Stability." ACS Applied Materials & Interfaces 12.30 (2020) 33621 - 33630.
Zhu, Yanbei, Jhanis J Gonzalez, Xinyan Yang, George C-Y Chan, Xin He, Robert Kostecki, Xianglei Mao, Richard E Russo, and Vassilia Zorba. "Calcium fluoride as a dominating matrix for quantitative analysis by laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS): A feasibility study." Analytica Chimica Acta 1129 (2020) 24 - 30.
Gerke, Brian F, Giulia Gallo, Sarah J Smith, Jingjing Liu, Shuba V Raghavan, Peter Schwartz, Mary Ann Piette, Rongxin Yin, and Sofia Stensson. The California Demand Response Potential Study, Phase 3: Final Report on the Shift Resource through 2030. 2020.

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Gerke, Brian F, Giulia Gallo, Sarah J Smith, Jingjing Liu, Shuba V Raghavan, Peter Schwartz, Mary Ann Piette, Rongxin Yin, and Sofia Stensson. The California Demand Response Potential Study, Phase 3: Final Report on the Shift Resource through 2030. 2020.

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Attia, Peter M, Aditya Grover, Norman Jin, Kristen A Severson, Todor M Markov, Yang-Hung Liao, Michael H Chen, Bryan Cheong, Nicholas Perkins, Zi Yang, Patrick K Herring, Muratahan Aykol, Stephen J Harris, Richard D Braatz, Stefano Ermon, and William C Chueh. "Closed-loop optimization of fast-charging protocols for batteries with machine learning." Nature 578.7795 (2020) 397 - 402.
Gorai, Prashun, Alex Ganose, Alireza Faghaninia, Anubhav Jain, and Vladan Stevanović. "Computational discovery of promising new n-type dopable ABX Zintl thermoelectric materials." Materials Horizons 7.7 (2020) 1809 - 1818.
He, Changfei, Peter R Christensen, Trevor J Seguin, Eric A Dailing, Brandon M Wood, Rebecca K Walde, Kristin A Persson, Thomas P Russell, and Brett A Helms. "Conformational Entropy as a Means to Control the Behavior of Poly(diketoenamine) Vitrimers In and Out of Equilibrium." Angewandte Chemie International Edition 59.2 (2020) 735 - 739.
Barai, Pallab, Kenneth Higa, and Venkat Srinivasan. "Correction: Lithium dendrite growth mechanisms in polymer electrolytes and prevention strategies." Physical Chemistry Chemical Physics 22.4 (2020) 2590 - 2591.
Bartel, Christopher J, Amalie Trewartha, Qi Wang, Alexander Dunn, Anubhav Jain, and Gerbrand Ceder. "A critical examination of compound stability predictions from machine-learned formation energies." npj Computational Materials 6.1 (2020).
MacDonald, Jason S, Evangelos Vrettos, and Duncan S Callaway. "A Critical Exploration of the Efficiency Impacts of Demand Response From HVAC in Commercial Buildings." Proceedings of the IEEE 108.9 (2020) 1623 - 1639.
Todd, Paul K, Allison Wustrow, Rebecca D McAuliffe, Matthew J McDermott, Gia Thinh Tran, Brennan C McBride, Ethan D Boeding, Daniel O’Nolan, Chia-Hao Liu, Shyam S Dwaraknath, Karena W Chapman, Simon JL Billinge, Kristin A Persson, Ashfia Huq, Gabriel M Veith, and James R Neilson. "Defect-Accommodating Intermediates Yield Selective Low-Temperature Synthesis of YMnO 3Polymorphs." Inorganic Chemistry 59.18 (2020) 13639 - 13650.
Li, Haifeng, Srinivasan Ramakrishnan, John W Freeland, Bryan D McCloskey, and Jordi Cabana. "Definition of Redox Centers in Reactions of Lithium Intercalation in Li3RuO4 Polymorphs." Journal of the American Chemical Society 142.18 (2020) 8160 - 8173.
Lun, Zhengyan, Bin Ouyang, Zijian Cai, Raphaële J Clément, Deok-Hwang Kwon, Jianping Huang, Joseph K Papp, Mahalingam Balasubramanian, Yaosen Tian, Bryan D McCloskey, Huiwen Ji, Haegyeom Kim, Daniil A Kitchaev, and Gerbrand Ceder. "Design Principles for High-Capacity Mn-Based Cation-Disordered Rocksalt Cathodes." Chem 6.1 (2020) 153 - 168.

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