Saswata Dasgupta

Title(s)	Postdoctoral Scholar, Chemistry and Biochemistry
School	Vc-academic Affairs
Address	9500 Gilman Drive # La Jolla CA 92093
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Publications

Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Researchers can login to make corrections and additions, or contact us for help. to make corrections and additions.

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PMC Citations indicate the number of times the publication was cited by articles in PubMed Central, and the Altmetric score represents citations in news articles and social media. (Note that publications are often cited in additional ways that are not shown here.) Fields are based on how the National Library of Medicine (NLM) classifies the publication's journal and might not represent the specific topic of the publication. Translation tags are based on the publication type and the MeSH terms NLM assigns to the publication. Some publications (especially newer ones and publications not in PubMed) might not yet be assigned Field or Translation tags.) Click a Field or Translation tag to filter the publications.

Balance between Physical Interpretability and Energetic Predictability in Widely Used Dispersion-Corrected Density Functionals. J Chem Theory Comput. 2024 Jan 09; 20(1):49-67. Dasgupta S, Palos E, Pan Y, Paesani F. PMID: 38150541.

View in: PubMed Mentions: Fields:
Bio Biochemistry Che Chemistry
How Good Is the Density-Corrected SCAN Functional for Neutral and Ionic Aqueous Systems, and What Is So Right about the Hartree-Fock Density? J Chem Theory Comput. 2022 Aug 09; 18(8):4745-4761. Dasgupta S, Shahi C, Bhetwal P, Perdew JP, Paesani F. PMID: 35785808.

View in: PubMed Mentions: 2 Fields:
Bio Biochemistry Che Chemistry
Assessing the Interplay between Functional-Driven and Density-Driven Errors in DFT Models of Water. J Chem Theory Comput. 2022 Jun 14; 18(6):3410-3426. Palos E, Lambros E, Swee S, Hu J, Dasgupta S, Paesani F. PMID: 35506889.

View in: PubMed Mentions: 2 Fields:
Bio Biochemistry Che Chemistry
Translation:Cells
Density functional theory of waterwith the machine-learned DM21 functional. J Chem Phys. 2022 Apr 28; 156(16):161103. Palos E, Lambros E, Dasgupta S, Paesani F. PMID: 35490008.

View in: PubMed Mentions: 2 Fields:
Bio Biophysics Che Chemistry Phy Physics
Translation:Cells
Elevating density functional theory to chemical accuracy for water simulations through a density-corrected many-body formalism. Nat Commun. 2021 Nov 04; 12(1):6359. Dasgupta S, Lambros E, Perdew JP, Paesani F. PMID: 34737311; PMCID: PMC8569147.

View in: PubMed Mentions: 8 Fields:
Bio Biology Sci Science
General Many-Body Framework for Data-Driven Potentials with Arbitrary Quantum Mechanical Accuracy: Water as a Case Study. J Chem Theory Comput. 2021 Sep 14; 17(9):5635-5650. Lambros E, Dasgupta S, Palos E, Swee S, Hu J, Paesani F. PMID: 34370954.

View in: PubMed Mentions: 4 Fields:
Bio Biochemistry Che Chemistry