| A comparison of the predictive capabilities of the embedded-atom method and modified embedded-atom method potentials for lithium JR Vella, FH Stillinger, AZ Panagiotopoulos, PG Debenedetti The Journal of Physical Chemistry B 119 (29), 8960-8968, 2015 | 33 | 2015 |
| Structural and dynamic properties of liquid tin from a new modified embedded-atom method force field JR Vella, M Chen, FH Stillinger, EA Carter, PG Debenedetti, ... Physical Review B 95, 064202, 2017 | 30 | 2017 |
| Liquid li structure and dynamics: A comparison between OFDFT and second nearest‐neighbor embedded‐atom method M Chen, JR Vella, AZ Panagiotopoulos, PG Debenedetti, FH Stillinger, ... AIChE Journal 61 (9), 2841-2853, 2015 | 28 | 2015 |
| Fick Diffusion Coefficients of the Gaseous CH4–CO2 System from Molecular Dynamics Simulations Using TraPPE Force Fields at 101.325, 506.625, 1013.25 … JR Vella Journal of Chemical & Engineering Data 64 (9), 3672-3681, 2019 | 18 | 2019 |
| Molecular dynamics study of silicon atomic layer etching by chlorine gas and argon ions JR Vella, D Humbird, DB Graves Journal of Vacuum Science & Technology B 40 (2), 2022 | 17 | 2022 |
| Transition State Gauche Effects Control the Torquoselectivities of the Electrocyclizations of Chiral 1-Azatrienes KNH A. Patel, J. R. Vella, Z. Ma, R. P. Hsung The Journal of Organic Chemistry 80, 11888–11894, 2015 | 13 | 2015 |
| Prediction of the distillation curve and vapor pressure of alcohol–gasoline blends using pseudocomponents and an equation of state JR Vella, BD Marshall Industrial & Engineering Chemistry Research 59 (17), 8361-8373, 2020 | 12 | 2020 |
| Characterization of the liquid Li-solid Mo (1 1 0) interface from classical molecular dynamics for plasma-facing applications JR Vella, M Chen, S Fürstenberg, FH Stillinger, EA Carter, ... Nuclear Fusion 57 (11), 116036, 2017 | 12 | 2017 |
| Modification of a force field for molecular dynamics simulations of silicon etching by chlorine atoms JR Vella, DB Graves Journal of Vacuum Science & Technology A 40 (6), 2022 | 9 | 2022 |
| Use of boundary-driven nonequilibrium molecular dynamics for determining transport diffusivities of multicomponent mixtures in nanoporous materials M Fayaz-Torshizi, W Xu, JR Vella, BD Marshall, PI Ravikovitch, ... The Journal of Physical Chemistry B 126 (5), 1085-1100, 2022 | 5 | 2022 |
| Mixture Solubility Parameters from Experimental Data and Perturbed-Chain Statistical Associating Fluid Theory JR Vella, BD Marshall Journal of Chemical & Engineering Data 65 (12), 5801-5808, 2020 | 4 | 2020 |
| An examination of the performance of molecular dynamics force fields: Silicon and silicon dioxide reactive ion etching S Shim, JR Vella, JS Draney, D Na, DB Graves Journal of Vacuum Science & Technology A 42 (2), 2024 | 3 | 2024 |
| Dynamics of plasma atomic layer etching: Molecular dynamics simulations and optical emission spectroscopy JR Vella, Q Hao, VM Donnelly, DB Graves Journal of Vacuum Science & Technology A 41 (6), 2023 | 3 | 2023 |
| Orientation-dependent etching of silicon by fluorine molecules: A quantum chemistry computational study OD Dwivedi, Y Barsukov, S Jubin, JR Vella, I Kaganovich Journal of Vacuum Science & Technology A 41 (5), 2023 | 3 | 2023 |
| Near-surface damage and mixing in Si-Cl2-Ar atomic layer etching processes: Insights from molecular dynamics simulations JR Vella, DB Graves Journal of Vacuum Science & Technology A 41 (4), 2023 | 3 | 2023 |
| A PC‐SAFT model for heavy hydrocarbon thermodynamics in downstream separation processes BD Marshall, JR Vella, J Greene, D Kozuch AIChE Journal, 2020 | 3 | 2020 |
| Reactor wall effects in Si–Cl2–Ar atomic layer etching JR Vella, MAI Elgarhy, Q Hao, VM Donnelly, DB Graves Journal of Vacuum Science & Technology A 42 (4), 2024 | 1 | 2024 |
| Simulations of graphite boronization: A molecular dynamics study of amorphization resulting from bombardment A Rau, S Jubin, JR Vella, ID Kaganovich Frontiers in Physics 10, 933494, 2022 | 1 | 2022 |
| A machine learning-enabled framework for multiscale modeling of surface processes in low-temperature plasma processing S Nath, J Vella, A Mesbah, D Graves Bulletin of the American Physical Society, 2024 | | 2024 |
| Development of Machine Learning Potentials for Plasma-Surface Interactions A Kounis-Melas, J Vella, A Panagiotopoulos, D Graves Bulletin of the American Physical Society, 2024 | | 2024 |
David B. GravesProfessor of Chemical and Biological Engineering, Princeton UniversityVerified email at princeton.edu
