Yulun Han

11PUBLICATIONS

12CO-AUTHORS

Surface properties of condensed matterChemical thermodynamics and energeticsPhotovoltaic power systemsOptical properties of materialsColloid and surface chemistry

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Publications (11)

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|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

|May 11, 2022

Molecular Dynamics Study of the Photodegradation of Polymeric Chains.

Meade Erickson, Yulun Han, Bakhtiyor Rasulev

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Frequent Collaborators

11 joint publications

Dmitri S Kilin

Svetlana V Kilina

Erik K Hobbie

Bakhtiyor Rasulev

Sergei Tretiak

Sarah Ghazanfari

Wenjie Xia

Alexey Leontyev

Shuping Huang

Haoran Qu

Frequent Collaborators

11 joint publications

Dmitri S Kilin

3 joint publications

Svetlana V Kilina

2 joint publications

Erik K Hobbie

2 joint publications

Bakhtiyor Rasulev