Yulun Han

12PUBLICATIONS
14CO-AUTHORS
PhotochemistrySurface properties of condensed matterChemical thermodynamics and energeticsPhotovoltaic power systemsOptical properties of materials
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Publications (12)

|Oct 23, 2026
Simulating UV Photolysis of Ibuprofen by Time-Dependent Excited-State Molecular Dynamics.

|Jul 07, 2026
First-Principles Calculations and Machine Learning for Nonradiative Relaxation of Charge Carriers at Nanostructured AgnSi(111) Monolayered Surfaces.

|Jun 30, 2025
Exploring Peptide Bond Formation Using Transition State Search and Wave Packet Dynamics.

Sarah Ghazanfari, Yulun Han, Amara Arshad

|Mar 11, 2025
Relaxation of Photoexcited Electron-Hole Pairs at Si(111) Surfaces with Adsorbed Ag Monolayered Clusters of Increasing Size.

Yulun Han, Tijo Vazhappilly, David A Micha

|Aug 05, 2024
[2 + 2] Cycloaddition Produces Divalent Organic Color-Centers with Reduced Heterogeneity in Single-Walled Carbon Nanotubes.

Haoran Qu, Yulun Han, Jacob Fortner

|Apr 25, 2024
Effects of Surface Defects on Performance and Dynamics of CsPbI2Br Perovskite: First-Principles Nonadiabatic Molecular Dynamics Simulations.

Bao Liu, Zhaoxin Wang, Shuping Huang

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Frequent Collaborators

12 joint publications

Dmitri S Kilin

3 joint publications

Svetlana V Kilina

2 joint publications

Erik K Hobbie

2 joint publications

Bakhtiyor Rasulev