Publications
] , “Direct generation of protein conformational ensembles via machine learning”, vol. 14, no. 1, p. 774, 2023.
, “Guanidinate Rare-Earth Tetraphenylborate Complexes and Their Prospects in Single-Molecule Magnetism”, Crystal Growth & Design, vol. 23, no. 5, pp. 3134 - 3143, 2023.
, “Linear, Electron-Rich, Homoleptic Rare Earth Metallocene and Its Redox Activity”, Inorganic Chemistry, vol. 62, no. 5, pp. 2095 - 2104, 2023.
, “MatFEA: Efficient Finite Element Framework for Analyzing Pavement Structures With Nonlinear Unbound Materials”, Transportation Research Record, 2023.
, “Comparison of Electron Capture Rates in the N = 50 Region using 1D Simulations of Core-collapse Supernovae”, The Astrophysical Journal, vol. 939, p. 15, 2022.
, “Heteroleptic Rare-Earth Tris(metallocenes) Containing a Dibenzocyclooctatetraene Dianion”, Inorganic Chemistry, vol. 61, no. 5, pp. 2444 - 2454, 2022.
, “Isolation of the elusive bisbenzimidazole Bbim3−˙ radical anion and its employment in a metal complex”, Chemical Science, p. - , 2022.
, “Lignin Nanoparticle Morphology Depends on Polymer Properties and Solvent Composition: an Experimental and Computational Study”, ACS Applied Polymer Materials, vol. 4, no. 10, pp. 6925 - 6935, 2022.
, “Molecular simulation of lignin-related aromatic compound permeation through gram-negative bacterial outer membranes”, Journal of Biological Chemistry, vol. 298, no. 12, 2022.
, “Phytochemical drug discovery for COVID-19 using high-resolution computational docking and machine learning assisted binder prediction”, Journal of Biomolecular Structure and Dynamics, pp. 1 - 21, 2022.
, “Reversible Unwrapping Algorithm for Constant-Pressure Molecular Dynamics Simulations”, Journal of Chemical Theory and Computation, vol. 18, no. 10, pp. 6161 - 6171, 2022.
, “Taming salophen in rare earth metallocene chemistry”, Inorg. Chem. Front., p. -, 2022.
, “Development and evaluation of CO2 transport in MPAS-A v6.3”, Geoscientific Model Development, vol. 14, pp. 3037–3066, 2021.
, “Information-theoretic characterization of the complete genotype-phenotype map of a complex pre-biotic world: Comment on “From genotypes to organisms: State-of-the-art and perspectives of a cornerstone in evolutionary dynamics” by Susanna Manrubia et al.”, Physics of Life Reviews, vol. 38, pp. 111-114, 2021.
, “Particle-in-cell techniques for the study of space charge effects in the Advanced Cryogenic Gas Stopper”, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol. 496, pp. 61-70, 2021.
, “A rare earth metallocene containing a 2{,}2′-azopyridyl radical anion”, Chem. Sci., p. -, 2021.
, “Synthesizing social and environmental sensing to monitor the impact of large-scale infrastructure development”, Environmental Science & Policy, vol. 124, pp. 527-540, 2021.
, “Global variations of Earth's 520- and 560-km discontinuities”, Earth and Planetary Science Letters, vol. 552, p. 116600, 2020.
, “A hierarchical analysis of habitat area, connectivity, and quality on amphibian diversity across spatial scales”, vol. 35, no. 2, p. 529 - -544, 2020.
, “Oceanic plateau of the Hawaiian mantle plume head subducted to the uppermost lower mantle”, Science, vol. 370, pp. 983–987, 2020.
, “Ice cover, winter circulation, and exchange in Saginaw Bay and Lake Huron”, Limnology and Oceanography, vol. 62, no. 1, 2017.
, “Manifold methods for assimilating geophysical and meteorological data in Earth system models and their components”, Journal of Hydrology, vol. 544, 2017.
, “Numerical Study of High Speed Evaporating Sprays”, International Journal of Multiphase Flow, vol. 70, 2015.
, “Twist-averaged boundary conditions for nuclear pasta Hartree-Fock calculations”, vol. 92, pp. 045806-1 - 045806-6, 2015.
, “Bonds, bands, and band gaps in tetrahedrally bonded ternary compounds: The role of group V lone pairs”, Journal of Physics and Chemistry of Solids, vol. 75, no. 4, 2014.