DesDesigning in the Face of Uncertainty: Exploiting Electronic Structure and Machine Learning Models for Discovery in Inorganic Chemistry

by Janet, Jon Paul, Liu, Fang, Nandy, Aditya, Duan, Chenru, Yang, Tzuhsiung, Lin, Sean, Kulik, Heather Janine
Published 2021

The thermodynamic scale of inorganic crystalline metastability

by Ong, S. P., Hautier, G., Jain, A., Gamst, A. C., Persson, K. A., Sun, Wenhao, Dacek, Stephen Thomas, Richards, William D, Ceder, Gerbrand
Published 2017

Composition and Structure of the Inorganic Core of Relaxed Intermediate

by Doan, Peter E., Shanmugam, Muralidharan, Hoffman, Brian M., Stubbe, JoAnne
Published 2017

Chemistry of Personalized Solar Energy

by Nocera, Daniel G.
Published 2013

Excitons in 2D Organic-Inorganic Halide Perovskites

by Tisdale, William A., Mauck, Catherine M., Tisdale, William A.
Published 2020

Atmospheric ammonia and particulate inorganic nitrogen over the United States

by Heald, Colette L., Collett, J. L., Jr, Lee, T., Benedict, K. B., Schwandner, F. M., Li, Y., Clarisse, L., Hurtmans, D. R., Damme, M. Van, Clerbaux, C., Coheur, P. -F, Philip, S., Martin, R. V., Pye, H. O. T.
Published 2013

Fully-drawn carbon-based chemical sensors on organic and inorganic surfaces

by Swager, Timothy M., Frazier, Kelvin Mitchell, Mirica, Katherine, Walish, Joseph John, Swager, Timothy M.
Published 2016

Enumeration of de novo inorganic complexes for chemical discovery and machine learning

by Gugler, Stefan, Janet, Jon Paul, Kulik, Heather J.
Published 2020

Leveraging Cheminformatics Strategies for Inorganic Discovery: Application to Redox Potential Design

by Janet, Jon Paul, Gani, Terry Zhi Hao, Steeves, Adam H., Ioannidis, Efthymios Ioannis, Kulik, Heather Janine
Published 2020

Understanding the Initial Stages of Reversible Mg Deposition and Stripping in Inorganic Nonaqueous Electrolytes

by Canepa, Pieremanuele, Malik, Rahul, Jayaraman, Saivenkataraman, Rong, Ziqin, Zavadil, Kevin R., Persson, Kristin, Ceder, Gerbrand, Gopalakrishnan, Sai Gautam
Published 2016

Improved Precursor Chemistry for the Synthesis of III-V Quantum Dots

by Harris, Daniel Kelly, Bawendi, Moungi G.
Published 2015

Chemistry of Nitrosyliron Complexes Supported by a beta-Diketiminate Ligand

by Tonzetich, Zachary J., Heroguel, Florent, Do, Loi Hung, Lippard, Stephen J.
Published 2012

Charting lattice thermal conductivity for inorganic crystals and discovering rare earth chalcogenides for thermoelectrics

by Zhu, Taishan, He, Ran, Gong, Sheng, Xie, Tian, Gorai, Prashun, Nielsch, Kornelius, Grossman, Jeffrey C.
Published 2021

Formation of semivolatile inorganic aerosols in the Mexico City Metropolitan Area during the MILAGRO campaign

by Karydis, V. A., Tsimpidi, A. P., Lei, Wenfang, Molina, Luisa Tan, Pandis, S. N.
Published 2012

Strategies and Software for Machine Learning Accelerated Discovery in Transition Metal Chemistry

by Nandy, Aditya, Duan, Chenru, Janet, Jon Paul, Gugler, Stefan O, Kulik, Heather Janine
Published 2019

Progress in Uranium Chemistry: Driving Advances in Front-End Nuclear Fuel Cycle Forensics

by Pastoor, Kevin J., Kemp, R. Scott, Jensen, Mark P., Shafer, Jenifer C.
Published 2022

Progress in Uranium Chemistry: Driving Advances in Front-End Nuclear Fuel Cycle Forensics

by Pastoor, Kevin J, Kemp, R Scott, Jensen, Mark P, Shafer, Jenifer C
Published 2022

Harnessing Organic Ligand Libraries for First-Principles Inorganic Discovery: Indium Phosphide Quantum Dot Precursor Design Strategies

by Kim, Jeong Yun, Steeves, Adam H., Kulik, Heather Janine
Published 2020

Predicting electronic structure properties of transition metal complexes with neural networks

by Janet, Jon Paul, Kulik, Heather Janine
Published 2021

Phosphorus: From the Stars to Land & Sea

by Cummins, Christopher C.
Published 2014