Sai Kumar Ramadugu

University of Iowa — United States

Physics and Astronomy · Physical Sciences

10h-index332citations24works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(8), Iron oxide chemistry and applications(4), Machine Learning in Materials Science(4), Quantum, superfluid, helium dynamics(4), Enzyme Structure and Function(3)

Publications24 total

Polygenic Risk Score-Based Association Analysis of Speech-in-Noise and Hearing Threshold Measures in Healthy Young Adults with Self-reported Normal Hearing
Journal of the Association for Research in Otolaryngology·2023· 5 citedOpen Access
A shortcut to the thermodynamic limit for quantum many-body calculations of metals
Nature Computational Science·2021· 32 citedOpen Access
The Sign Problem in Density Matrix Quantum Monte Carlo
Journal of Chemical Theory and Computation·2021· 2 citedOpen Access
Applying connectivity twist averaging to quantum Monte Carlo and real solids
Bulletin of the American Physical Society·2021
Effective Hamiltonians for the study of real metals using quantum chemical theories
arXiv (Cornell University)·2021· 1 citedOpen Access
Identifying sources of error in finite temperature calculations for molecules and solids using density matrix quantum Monte Carlo
Bulletin of the American Physical Society·2020
Using Density Matrix Quantum Monte Carlo for Calculating Exact-on-Average Energies for <i>ab Initio</i> Hamiltonians in a Finite Basis Set
Journal of Chemical Theory and Computation·2020· 16 citedOpen Access
Dataset for "Using Density Matrix Quantum Monte Carlo for Calculating Exact-on-Average Finite-Temperature Energies for ab Initio Hamiltonians in a Finite Basis Set"
2020Open Access
Using density matrix quantum Monte Carlo for calculating exact-on-average energies for ab-initio Hamiltonians in a finite basis set
arXiv (Cornell University)·2019· 1 citedOpen Access
Using density matrix quantum Monte Carlo for calculating\n exact-on-average energies for ab-initio Hamiltonians in a finite basis set
arXiv (Cornell University)·2019Open Access
Fully Quantum Embedding with Density Functional Theory for Full Configuration Interaction Quantum Monte Carlo
Journal of Chemical Theory and Computation·2019· 17 citedOpen Access
Utilization of bench-stable and readily available nickel(II) triflate for access to 1,2-cis-2-aminoglycosides
Carbohydrate Research·2016· 14 citedOpen Access
The Advanced Cyberinfrastructure Research and Education Facilitators Virtual Residency
2016· 14 citedOpen Access
Surface-Specific DFT +<i> U</i> Approach Applied to α-Fe<sub>2</sub>O<sub>3</sub>(0001)
The Journal of Physical Chemistry C·2016· 109 cited
DFT Study of Antimony(V) Oxyanion Adsorption on α-Al<sub>2</sub>O<sub>3</sub>(1102)
The Journal of Physical Chemistry C·2015· 30 cited
Fundamental insights about environmental interface reactivity from DFT calculations of geochemical model systems
Surface Science·2014· 10 cited
Surface-Specific Hubbard $U$ calculations for $\alpha$-Fe$_2$O$_3$ (0001) Surfaces
Bulletin of the American Physical Society·2014
Density Functional Theory Studies of Sb(V) Oxyanion Adsorption on $\alpha$-Al$_2$O$_3$ 1$\overline{1}$02 surfaces
Bulletin of the American Physical Society·2014
Density Functional Theory Studies of Sb(V) Oxyanion Adsorption on α -Al 2 O 3 1102 surfaces
APS March Meeting Abstracts·2014
The Role of Glu41 in the Binding of Dimannose to P51G-m4-CVN
Biochemistry·2014· 4 cited
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Frequent Co-authors

James J. Shepherd(10), Hayley Petras(7), Sara E. Mason(6), Fionn D. Malone(4), Tina N. Mihm(3), Claudio J. Margulis(3), Xu Huang(2), Tobias Schäfer(2), Andreas Grüneis(2), Laura Weiler(1), Uddhavesh Sonavane(1), Rajendra Joshi(1), Ying‐Hua Chung(1), Junchao Xia(1), Daniel S. Graham(1), Jason D. Goodpaster(1), Ying-hua Chung(1), Ernesto J. Fuentes(1), Kevin G. Rice(1), Henry Neeman(1)