Projects per year
Fingerprint
Researcher collaborations from the last five years
Profiles
Projects
- 2 Finished
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High throughput, accurate gene annotation through AI and HPC-enabled structural analysis
Skolnick, J. (PI), Cheng, J. (CoPI), Sedova, A. (CoPI) & Parks, J. (CoPI)
Biological and Environmental Research
09/15/20 → 09/14/23
Project: Research
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Multi-Scale Modeling Framework for Mercury Biogeochemistry
Smith, J. C. (PI), Parks, J. (CoPI) & Tang, G. G. (CoPI)
Biological and Environmental Research
08/15/16 → 08/14/20
Project: Research
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Physics-informed machine learning to predict solvatochromic parameters of designer solvents with case studies in CO2 and lignin dissolution
Mohan, M., Gugulothu, N., Guggilam, S., Rajitha Rajeshwar, T., Kidder, M. K. & Smith, J. C., Jun 2025, In: Green Chemical Engineering. 6, 2, p. 275-287 13 p.Research output: Contribution to journal › Article › peer-review
Open Access1 Scopus citations -
Accurate Machine Learning for Predicting the Viscosities of Deep Eutectic Solvents
Mohan, M., Jetti, K. D., Smith, M. D., Demerdash, O. N., Kidder, M. K. & Smith, J. C., May 14 2024, In: Journal of Chemical Theory and Computation. 20, 9, p. 3911-3926 16 p.Research output: Contribution to journal › Article › peer-review
22 Scopus citations -
Biomass pretreatment with distillable ionic liquids for an effective recycling and recovery approach
Achinivu, E. C., Blankenship, B. W., Baral, N. R., Choudhary, H., Kakumanu, R., Mohan, M., Baidoo, E. E. K., Scown, C. D., George, A., Simmons, B. A. & Gladden, J., Jan 1 2024, In: Chemical Engineering Journal. 479, 147824.Research output: Contribution to journal › Article › peer-review
16 Scopus citations
Datasets
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Structural models and functional annotations for the Sphagnum divinum proteome.
Davidson, R. B. (Creator), Coletti, M. (Creator), Gao, M. (Creator) & Sedova, A. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), May 31 2023
DOI: 10.13139/ORNLNCCS/1973885
Dataset
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OpenMDlr Dataset
Davidson, R. B. (Creator) & Sedova, A. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), May 12 2022
DOI: 10.13139/ORNLNCCS/1866593
Dataset
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Simulation dataset for "Chemical and Morphological Structure of Transgenic Switchgrass Organosolv Lignin Extracted by Ethanol, Tetrahydrofuran, and γ-Valerolactone Pretreatments"
Mathamangalath Sethuraman, V. (Creator) & Petridis, L. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Apr 23 2021
DOI: 10.13139/ORNLNCCS/1778905
Dataset