| Surface-Specific DFT + U Approach Applied to α-Fe2O3(0001) X Huang, SK Ramadugu, SE Mason The Journal of Physical Chemistry C 120 (9), 4919-4930, 2016 | 107 | 2016 |
| When sugars get wet. A comprehensive study of the behavior of water on the surface of oligosaccharides SK Ramadugu, YH Chung, J Xia, CJ Margulis The Journal of Physical Chemistry B 113 (31), 11003-11015, 2009 | 40 | 2009 |
| DFT Study of Antimony(V) Oxyanion Adsorption on α-Al2O3(11̅02) SK Ramadugu, SE Mason The Journal of Physical Chemistry C 119 (32), 18149-18159, 2015 | 29 | 2015 |
| Study of early events in the protein folding of villin headpiece using molecular dynamics simulation UB Sonavane, SK Ramadugu, RR Joshi Journal of Biomolecular Structure and Dynamics 26 (2), 203-214, 2008 | 29 | 2008 |
| In silico prediction of the 3D structure of trimeric asialoglycoprotein receptor bound to triantennary oligosaccharide SK Ramadugu, YH Chung, EJ Fuentes, KG Rice, CJ Margulis Journal of the American Chemical Society 132 (26), 9087-9095, 2010 | 26 | 2010 |
| A shortcut to the thermodynamic limit for quantum many-body calculations of metals TN Mihm, T Schäfer, SK Ramadugu, L Weiler, A Grüneis, JJ Shepherd Nature Computational Science 1 (12), 801-808, 2021 | 23 | 2021 |
| Fully quantum embedding with density functional theory for full configuration interaction quantum Monte Carlo HR Petras, DS Graham, SK Ramadugu, JD Goodpaster, JJ Shepherd Journal of chemical theory and computation 15 (10), 5332-5342, 2019 | 18 | 2019 |
| Using Density Matrix Quantum Monte Carlo for Calculating Exact-on-Average Energies for ab Initio Hamiltonians in a Finite Basis Set HR Petras, SK Ramadugu, FD Malone, JJ Shepherd Journal of chemical theory and computation 16 (2), 1029-1038, 2020 | 14 | 2020 |
| Utilization of bench-stable and readily available nickel(II) triflate for access to 1,2-cis-2-aminoglycosides ET Sletten, SK Ramadugu, HM Nguyen Carbohydrate research 435, 195-207, 2016 | 14 | 2016 |
| Fundamental insights about environmental interface reactivity from DFT calculations of geochemical model systems SE Mason, KW Corum, SK Ramadugu Surface science 631, 48-56, 2015 | 13 | 2015 |
| The sign problem in density matrix quantum Monte Carlo HR Petras, WZ Van Benschoten, SK Ramadugu, JJ Shepherd Journal of chemical theory and computation 17 (10), 6036-6052, 2021 | 6 | 2021 |
| The Role of Glu41 in the Binding of Dimannose to P51G-m4-CVN SK Ramadugu, Z Li, HK Kashyap, CJ Margulis Biochemistry 53 (9), 1477-1484, 2014 | 5 | 2014 |
| Effective Hamiltonians for the study of real metals using quantum chemical theories TN Mihm, T Schäfer, SK Ramadugu, A Grüneis, JJ Shepherd arXiv preprint arXiv:2103.06318, 2021 | 1 | 2021 |
| Dataset for" A shortcut to the thermodynamic limit for quantum many-body calculations of metals" TN Mihm, T Schäfer, SK Ramadugu, L Weiler, A Grüneis, JJ Shepherd University of Iowa, 2021 | 1 | 2021 |
| Carbohydrate-protein interactions: Structure, dynamics and free energy calculations SK Ramadugu The University of Iowa, 2013 | 1 | 2013 |
| Binding Free Energy Calculations of Dimannose to Cyanovirin-N High and Low Affinity Sites using the Jarzynski's Equality and Umbrella Sampling SK Ramadugu, HK Kashyap, G Ghirlanda, C Margulis Glycobiology 21 (11), 1477-1478, 2011 | 1 | 2011 |
| Polygenic Risk Score-Based Association Analysis of Speech-in-Noise and Hearing Threshold Measures in Healthy Young Adults with Self-reported Normal Hearing IS Bhatt, SK Ramadugu, S Goodman, SG Bhagavan, V Ingalls, R Dias, ... Journal of the Association for Research in Otolaryngology 24 (5), 513-525, 2023 | | 2023 |
| Electronic temperature effects on the dissociation of diatomic molecules using density matrix quantum Monte Carlo H Petras, W Van Benschoten, E Landgreen, SK Ramadugu, J Shepherd APS March Meeting Abstracts 2022, K48. 005, 2022 | | 2022 |
| Obtaining a faster convergence to the thermodynamic limit for metals using structure factor twist averaging T Mihm, T Schäfer, SK Ramadugu, L Weiler, A Grueneis, J Shepherd APS March Meeting Abstracts 2022, A48. 004, 2022 | | 2022 |
| Dataset for “The sign problem in density matrix quantum Monte Carlo” HR Petras, WZ Van Benschoten, SK Ramadugu, JJ Shepherd University of Iowa, 2021 | | 2021 |
Sara E. MasonBrookhaven National Laboratory, University of IowaVerified email at uiowa.edu
