# Publications

#### 2023

- K. Fazel, N. Karimitari, T. Shah, C. Sutton and R. Sundararaman,
“Improving the reliability of machine learned potentials for modeling inhomogenous liquids”,
arXiv:2306.00970 (2023)

- J Clary, M Del Ben, R Sundararaman, D Vigil-Fowler,
“Impact of solvation on the GW quasiparticle spectra of molecules”,
chemrxiv-2023-6zlbh (2023)

- S Adhikari, J Clary, R Sundararaman, C Musgrave, D Vigil-Fowler, C Sutton,
“Accurate Prediction of HSE06 Band Structures for a Diverse Set of Materials Using ∆-learning”,
chemrxiv-2023-n6p86 (2023)

- C. Tezak, N. Singstock, A. AlHerz, D. Vigil-Fowler, C. Sutton, R. Sundararaman and C. Musgrave,
“Revised Nitrogen Reduction Scaling Relations from Potential-Dependent Modeling of Chemical and Electrochemical Steps”,
chemrxiv-2023-v73sk (2023)

- M. Woodcox, A. Mahata, A. Hagerstrom, A. Stelson, C. Muzny, R. Sundararaman and K. Schwarz,
“Simulating dielectric spectra: A demonstration of the direct electric field method and a new model for the nonlinear dielectric response”,
*J. Chem. Phys.* **158**, 124122 (2023)

- R. Sundararaman and K. Schwarz,
“Solvent effects determine the sign of the charges of maximum entropy and capacitance at silver electrodes”,
*J. Chem. Phys.* **158**, 121102 (2023)

#### 2022

- N. R. Singstock, C. B. Musgrave,
“How the Bio-Inspired Fe
_{2}Mo_{6}S_{8} Chevrel Breaks Electrocatalytic Nitrogen Reduction Scaling Relations”,
*J. Am. Chem. Soc.* **144**, 28 (2022)

- R. Sundararaman, D. Vigil-Fowler and K. Schwarz,
“Improving the Accuracy of Atomistic Simulations of the Electrochemical Interface”,
*Chem. Rev.* **122**, 10651 (2022)

- A. Shandilya, K. Schwarz and R. Sundararaman,
“Interfacial water asymmetry at ideal electrochemical interfaces”,
*J. Chem. Phys.* **156**, 014705 (2022)

#### 2021

- Y. A. Alsunni, A. W. Alherz, and C. B. Musgrave,
“Electrocatalytic Reduction of CO2 to CO over Ag(110) and Cu(211) Modeled by Grand-Canonical Density Functional Theory”,
*J. Phys. Chem. C* **125**, 23773 (2021)