Wan-Lu Li

Assistant Professor

University of California, San Diego

United States

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Wan-Lu Li is an Assistant Professor at the University of California, San Diego, USA. His research areas include electrocatalytic interfaces, alkaline water splitting, machine learning for material screening, and photocatalytic processes. His recent publications explore topics such as nanoscale manipulation at molecular junctions, ammonia synthesis, and the development of computational tools for biological systems.

Articles (20)

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2021

Collaborators (1)

Lai-Sheng Wang

Brown University

UNITED STATES

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Wan-Lu Li

Research Interests

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Articles (20)

Cation- and Potential-Dependent Modulation of Hydrophobic Hydration at Electrocatalytic Interfaces

Dynamic construction of a durable epitaxial catalytic layer for industrial alkaline water splitting

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

Ammonia Synthesis under Ambient Conditions: Insights into Water–Nitrogen–Magnetite Interfaces

Photocatalytic H2O2 Production with >30% Quantum Efficiency via Monovalent Copper Dynamics

Structure Search with the Strategic Escape Algorithm

TinkerModeller: An Efficient Tool for Building Biological Systems in Tinker Simulations

Characterization of Coulomb Interactions in Electron Transport Through a Single Hetero-Helicene Molecular Junction Using Scanning Tunneling Microscopy

Nanoscale Manipulation of Single-Molecule Conformational Transition through Vibrational Excitation

Tuning the free energy of host–guest encapsulation by cosolvent

How thermal fluctuations influence the function of the FeMo cofactor in nitrogenase enzymes

The Good, the Bad, and the Ugly: Pseudopotential Inconsistency Errors in Molecular Applications of Density Functional Theory

Greater transferability and accuracy of norm-conserving pseudopotentials using nonlinear core corrections

AuB<sub>8</sub><sup>-</sup>: an Au-borozene complex

Optimizing the Solvent Reorganization Free Energy by Metal Substitution for Nanocage Catalysis

Linear Combination of Atomic Dipoles to Calculate the Bond and Molecular Dipole Moments of Molecules and Molecular Liquids

Monovalent lanthanide(I) in borozene complexes

Optimized Pseudopotentials and Basis Sets for Semiempirical Density Functional Theory for Electrocatalysis Applications

Critical Role of Thermal Fluctuations for CO Binding on Electrocatalytic Metal Surfaces

Expanded Inverse-Sandwich Complexes of Lanthanum Borides: La2B10– and La2B11–

Collaborators (1)

Lai-Sheng Wang

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