Prediction Errors of Molecular Machine Learning Models Lower than Hybrid DFT Error
Faber, Felix A, Hutchison, Luke, Huang, Bing, Gilmer, Justin, Schoenholz, Samuel S, Dahl, George E, Vinyals, Oriol, Kearnes, Steven, Riley, Patrick F, von Lilienfeld, O. Anatole
Published in Journal of chemical theory and computation (14.11.2017)
Published in Journal of chemical theory and computation (14.11.2017)
Get full text
Journal Article
MoSDeF, a Python Framework Enabling Large-Scale Computational Screening of Soft Matter: Application to Chemistry-Property Relationships in Lubricating Monolayer Films
Summers, Andrew Z, Gilmer, Justin B, Iacovella, Christopher R, Cummings, Peter T, M, Clare
Published in Journal of chemical theory and computation (10.03.2020)
Published in Journal of chemical theory and computation (10.03.2020)
Get full text
Journal Article
High-throughput screening of tribological properties of monolayer films using molecular dynamics and machine learning
Quach, Co D, Gilmer, Justin B, Pert, Daniel, Mason-Hogans, Akanke, Iacovella, Christopher R, Cummings, Peter T, McCabe, Clare
Published in The Journal of chemical physics (21.04.2022)
Published in The Journal of chemical physics (21.04.2022)
Get more information
Journal Article
Formalizing atom-typing and the dissemination of force fields with foyer
Klein, Christoph, Summers, Andrew Z., Thompson, Matthew W., Gilmer, Justin B., McCabe, Clare, Cummings, Peter T., Sallai, Janos, Iacovella, Christopher R.
Published in Computational materials science (01.09.2019)
Published in Computational materials science (01.09.2019)
Get full text
Journal Article
MoSDeF-GOMC: Python Software for the Creation of Scientific Workflows for the Monte Carlo Simulation Engine GOMC
Crawford, Brad, Timalsina, Umesh, Quach, Co D, Craven, Nicholas C, Gilmer, Justin B, McCabe, Clare, Cummings, Peter T, Potoff, Jeffrey J
Published in Journal of chemical information and modeling (27.02.2023)
Published in Journal of chemical information and modeling (27.02.2023)
Get full text
Journal Article
Examining the self-assembly of patchy alkane-grafted silica nanoparticles using molecular simulation
Craven, Nicholas C, Gilmer, Justin B, Spindel, Caroline J, Summers, Andrew Z, Iacovella, Christopher R, McCabe, Clare
Published in The Journal of chemical physics (21.01.2021)
Published in The Journal of chemical physics (21.01.2021)
Get more information
Journal Article
Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework
Cummings, Peter T., McCabe, Clare, Iacovella, Christopher R., Ledeczi, Akos, Jankowski, Eric, Jayaraman, Arthi, Palmer, Jeremy C., Maginn, Edward J., Glotzer, Sharon C., Anderson, Joshua A., Ilja Siepmann, J., Potoff, Jeffrey, Matsumoto, Ray A., Gilmer, Justin B., DeFever, Ryan S., Singh, Ramanish, Crawford, Brad
Published in AIChE journal (01.03.2021)
Published in AIChE journal (01.03.2021)
Get full text
Journal Article
Towards molecular simulations that are transparent, reproducible, usable by others, and extensible (TRUE)
Thompson, Matthew W., Gilmer, Justin B., Matsumoto, Ray A., Quach, Co D., Shamaprasad, Parashara, Yang, Alexander H., Iacovella, Christopher R., McCabe, Clare, Cummings, Peter T.
Published in Molecular physics (01.06.2020)
Published in Molecular physics (01.06.2020)
Get full text
Journal Article
Open-source molecular modeling software in chemical engineering
Cummings, Peter T, Gilmer, Justin B
Published in Current opinion in chemical engineering (01.03.2019)
Published in Current opinion in chemical engineering (01.03.2019)
Get full text
Journal Article
The Many Faces of Robustness: A Critical Analysis of Out-of-Distribution Generalization
Hendrycks, Dan, Basart, Steven, Mu, Norman, Kadavath, Saurav, Wang, Frank, Dorundo, Evan, Desai, Rahul, Zhu, Tyler, Parajuli, Samyak, Guo, Mike, Song, Dawn, Steinhardt, Jacob, Gilmer, Justin
Published in 2021 IEEE/CVF International Conference on Computer Vision (ICCV) (01.10.2021)
Published in 2021 IEEE/CVF International Conference on Computer Vision (ICCV) (01.10.2021)
Get full text
Conference Proceeding
Composition limits and separating examples for some boolean function complexity measures
Gilmer, Justin, Saks, Michael, Srinivasan, Srikanth
Published in Combinatorica (Budapest. 1981) (01.06.2016)
Published in Combinatorica (Budapest. 1981) (01.06.2016)
Get full text
Journal Article
A mobile-optimized artificial intelligence system for gestational age and fetal malpresentation assessment
Gomes, Ryan G., Vwalika, Bellington, Lee, Chace, Willis, Angelica, Sieniek, Marcin, Price, Joan T., Chen, Christina, Kasaro, Margaret P., Taylor, James A., Stringer, Elizabeth M., McKinney, Scott Mayer, Sindano, Ntazana, Dahl, George E., Goodnight, William, Gilmer, Justin, Chi, Benjamin H., Lau, Charles, Spitz, Terry, Saensuksopa, T., Liu, Kris, Tiyasirichokchai, Tiya, Wong, Jonny, Pilgrim, Rory, Uddin, Akib, Corrado, Greg, Peng, Lily, Chou, Katherine, Tse, Daniel, Stringer, Jeffrey S. A., Shetty, Shravya
Published in Communications medicine (11.10.2022)
Published in Communications medicine (11.10.2022)
Get full text
Journal Article
Composition Limits and Separating Examples for Some Boolean Function Complexity Measures
Gilmer, Justin, Saks, Michael, Srinivasan, Srikanth
Published in 2013 IEEE Conference on Computational Complexity (01.06.2013)
Published in 2013 IEEE Conference on Computational Complexity (01.06.2013)
Get full text
Conference Proceeding
Do Current Multi-Task Optimization Methods in Deep Learning Even Help?
Xin, Derrick, Ghorbani, Behrooz, Garg, Ankush, Firat, Orhan, Gilmer, Justin
Year of Publication 22.09.2022
Year of Publication 22.09.2022
Get full text
Journal Article