Da‐Jiang Liu

Government of the United States of America — United States

Earth and Planetary Sciences · Physical Sciences

29h-index2.7kcitations139works4.52yr avg
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Research Topics

nanoparticles nucleation surface interactions(41), Advanced Chemical Physics Studies(40), Theoretical and Computational Physics(40), Surface and Thin Film Phenomena(31), Catalytic Processes in Materials Science(23)

Publications139 total

Nanoscale Structure of Ordered Mesoporous Carbon Formed by Nanocasting within a Hard Template: Md Simulation with Ml Potentials
SSRN Electronic Journal·2025Open Access
Achieving Product Control in Furfural Hydrogenation Using Intermetallic Catalysts
ACS Catalysis·2024· 12 citedOpen Access
Molecular simulation using transfer-learned potentials for the disordered nanoscale structure of nitrogen-doped nanoporous carbons
Carbon·2024· 6 citedOpen Access
Formation and coarsening of epitaxially-supported metal nanoclusters
Surface Science·2024Open Access
Enhanced Activity from Coordinatively Unsaturated and Dynamic Zeolite-Bound Organoscandium Species
ACS Catalysis·2024· 11 citedOpen Access
Thermal Shape Stability of fcc Metal Nanocrystals Synthesized with Faceted Nonequilibrium Shapes
The Journal of Physical Chemistry C·2024· 6 citedOpen Access
Formation and Coarsening of Epitaxially-Supported Metal Nanoclusters
SSRN Electronic Journal·2024Open Access
Molecular Simulation Using Transfer-Learned Potentials for the Disordered Nanoscale Structure of Nitrogen-Doped Nanoporous Carbons
SSRN Electronic Journal·2024· 1 citedOpen Access
Fluorine spillover for ceria- vs silica-supported palladium nanoparticles: A MD study using machine learning potentials
The Journal of Chemical Physics·2023· 6 citedOpen Access
Generic two-phase coexistence in a type-2 Schloegl model for autocatalysis on a square lattice: Analysis via heterogeneous master equations
Physical review. E·2023· 2 citedOpen Access
Nucleation-mediated reshaping of facetted metallic nanocrystals: Breakdown of the classical free energy picture
The Journal of Chemical Physics·2023· 6 citedOpen Access
Efficient transfer hydrodehalogenation of halophenols catalyzed by Pd supported on ceria
Applied Catalysis A General·2022· 5 citedOpen Access
<sup>1</sup>H chemical shift anisotropy: a high sensitivity solid-state NMR dynamics probe for surface studies?
Physical Chemistry Chemical Physics·2022· 14 citedOpen Access
Efficient Transfer Hydrodehalogenation of Halophenols Catalyzed by Pd Supported on Ceria
2022Open Access
Reaction processes at step edges on S-decorated Cu(111) and Ag(111) surfaces: MD analysis utilizing machine learning derived potentials
The Journal of Chemical Physics·2022· 11 citedOpen Access
Sulfur-enhanced dynamics of coinage metal(111) surfaces: Step edges versus terraces as locations for metal-sulfur complex formation
Journal of Vacuum Science & Technology A Vacuum Surfaces and Films·2022· 3 citedOpen Access
Spatial arrangement of dynamic surface species from solid-state NMR and machine learning-accelerated MD simulations
Chemical Communications·2022· 11 citedOpen Access
Efficient Transfer Hydrodehalogenation of Halophenols Catalyzed by Pd Supported on Ceria
SSRN Electronic Journal·2022Open Access
Azo(xy) <i>vs</i> Aniline Selectivity in Catalytic Nitroarene Reduction by Intermetallics: Experiments and Simulations
The Journal of Physical Chemistry C·2021· 19 citedOpen Access
Phase transitions in Schloegl's second model for autocatalysis on a Bethe lattice
Physical review. E·2021· 2 citedOpen Access
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Frequent Co-authors

James W. Evans(24), P. A. Thiel(18), Yong Han(7), C. J. Jenks(7), Mingmin Shen(6), J. W. Evans(6), J. W. Evans(5), Yousoo Kim(5), John D. Weeks(4), Xiaofang Guo(4), Holly Walen(3), Junepyo Oh(3), Hyunseob Lim(3), Barış Ünal(3), Feili Qin(3), Dapeng Jing(3), Selena M. Russell(3), Javier Vela(2), R. Imbihl(2), Mark S. Gordon(2)