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Nathan Baker

united states department of energy (doe)

49H-index
248Paper Count
2.2WCitation Count
Published Papers 52
Publication Date
Acceleration without Disruption: DFT Software as a Service
err2024-12-11
err1
errOAAI
errJu, Fusong; Wei, Xinran; Huang, Lin; Jenkins, Andrew J.; Xia, Leo; Zhang, Jia; Zhu, Jianwei; Yang, Han; Shao, Bin; Dai, Peggy; Williams-Young, David B.; Mayya, Ashwin; Hooshmand, Zahra; Efimovskaya, Alexandra; Baker, Nathan A.; Troyer, Matthias; Liu, Hongbin
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Electronic structure simulations in the cloud computing environment
err2024-10-21
err1
errOAAI
errBylaska, Eric J.; Panyala, Ajay; Bauman, Nicholas P.; Peng, Bo; Pathak, Himadri; Mejia-Rodriguez, Daniel; Govind, Niranjan; Williams-Young, David B.; Apra, Edoardo; Bagusetty, Abhishek; Mutlu, Erdal; Jackson, Koblar A.; Baruah, Tunna; Yamamoto, Yoh; Pederson, Mark R.; Withanage, Kushantha P. K.; Pedroza-Montero, Jesus N.; Bilbrey, Jenna A.; Choudhury, Sutanay; Firoz, Jesun; Herman, Kristina M.; Xantheas, Sotiris S.; Rigor, Paul; Vila, Fernando D.; Rehr, John J.; Fung, Mimi; Grofe, Adam; Johnston, Conrad; Baker, Nathan; Kaneko, Ken; Liu, Hongbin; Kowalski, Karol
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Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation
err2024-07-09
err2
PREAI
errChen, Chi; Nguyen, Dan Thien; Lee, Shannon J.; Baker, Nathan A.; Karakoti, Ajay S.; Lauw, Linda; Owen, Craig; Mueller, Karl T.; Bilodeau, Brian A.; Murugesan, Vijayakumar; Troyer, Matthias
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Assessing alternative occupations for truck drivers in an emerging era of autonomous vehicles
err2023-05-01
err4
errOAAI
errWang, Sicheng; Mack, Elizabeth A.; Van Fossen, Jenna A.; Medwid, Laura; Cotten, Shelia R.; Chang, Chu-Hsiang; Mann, John; Miller, Steven R.; Savolainen, Peter T.; Baker, Nathan
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Toward Quantum Computing for High-Energy Excited States in Molecular Systems: Quantum Phase Estimations of Core-Level States
err2020-12-17
err27
PREAI
errBauman, Nicholas P.; Liu, Hongbin; Bylaska, Eric J.; Krishnamoorthy, Sriram; Low, Guang Hao; Granade, Christopher E.; Wiebe, Nathan; Baker, Nathan A.; Peng, Bo; Roetteler, Martin; Troyer, Matthias; Kowalski, Karol
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Data-driven molecular modeling with the generalized Langevin equation
err2020-10-01
err28
errOAAI
errGrogan, Francesca; Lei, Huan; Li, Xiantao; Baker, Nathan A.
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Atomic Radius and Charge Parameter Uncertainty in Biomolecular Solvation Energy Calculations
err2018-01-29
err16
errOAAI
errYang, Xiu; Lei, Huan; Gao, Peiyuan; Thomas, Dennis G.; Mobley, David L.; Baker, Nathan A.
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Spermine Condenses DNA, but Not RNA Duplexes
err2017-01-01
err62
errOAAI
errKatz, Andrea M.; Tolokh, Igor S.; Pabit, Suzette A.; Baker, Nathan; Onufriev, Alexey V.; Pollack, Lois
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PB-AM: An open-source, fully analytical linear poisson-boltzmann solver
err2016-11-02
err10
errOAAI
errFelberg, Lisa E.; Brookes, David H.; Yap, Eng-Hui; Jurrus, Elizabeth; Baker, Nathan A.; Head-Gordon, Teresa
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Understanding nucleic acid structural changes by comparing wide-angle x-ray scattering (WAXS) experiments to molecular dynamics simulations
err2016-05-24
err14
errOAAI
errPabit, Suzette A.; Katz, Andrea M.; Tolokh, Igor S.; Drozdetski, Aleksander; Baker, Nathan; Onufriev, Alexey V.; Pollack, Lois
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Multi-shell model of ion-induced nucleic acid condensation
err2016-04-21
err14
errOAAI
errTolokh, Igor S.; Drozdetski, Aleksander V.; Pollack, Lois; Baker, Nathan A.; Onufriev, Alexey V.
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Condensation of Nucleic Acids by Multivalent Ions: Sequence Dependence and the Curious Case of RNA
err2016-02-01
err0
errOAAI
errTolokh, Igor S.; Drozdetski, Aleksander; Pabit, Suzette A.; Katz, Andrea M.; Pollack, Lois; Baker, Nathan A.; Onufriev, Alexey V.
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Enhancing sparsity of Hermite polynomial expansions by iterative rotations
err2016-02-01
err64
errOAAI
errYang, Xiu; Lei, Huan; Baker, Nathan A.; Lin, Guang
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The Role of Correlation and Solvation in Ion Interactions with B-DNA
err2016-01-01
err33
errOAAI
errSushko, Maria L.; Thomas, Dennis G.; Pabit, Suzette A.; Pollack, Lois; Onufriev, Alexey V.; Baker, Nathan A.
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Informatics Approaches to Data Preservation and Analysis in Protein Electrostatics
err2015-01-01
err0
errOAAI
errBaker, Nathan A.; Dowling, Chase; Gosink, Luke; Pulsipher, Trenton; Sansone, Susanna-Assunta
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Why double-stranded RNA resists condensation
err2014-08-14
err70
errOAAI
errTolokh, Igor S.; Pabit, Suzette A.; Katz, Andrea M.; Chen, Yujie; Drozdetski, Aleksander; Baker, Nathan; Pollack, Lois; Onufriev, Alexey V.
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Improved Coarse-Grained Modeling of Cholesterol-Containing Lipid Bilayers
err2014-04-14
err39
errOAAI
errDaily, Michael D.; Olsen, Brett N.; Schlesinger, Paul H.; Ory, Daniel S.; Baker, Nathan A.
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The Structural Basis of Cholesterol Accessibility in Membranes
err2014-01-01
err1
errOAAI
errOlsen, Brett N.; Bielska, Agata A.; Lee, Tiffany; Daily, Michael D.; Covey, Douglas F.; Schlesinger, Paul H.; Baker, Nathan A.; Ory, Daniel S.
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Origin of parameter degeneracy and molecular shape relationships in geometric-flow calculations of solvation free energies
err2013-11-27
err8
errOAAI
errDaily, Michael D.; Chun, Jaehun; Heredia-Langner, Alejandro; Wei, Guowei; Baker, Nathan A.
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