Young Min Rhee

Research interests

Publications

• Orbital-optimized pair-correlated electron simulations on trapped-ion quantum computers

  npj Quantum Information · 2023 · 10.1038/s41534-023-00730-8

• Three States Involving Vibronic Resonance is a Key to Enhancing Reverse Intersystem Crossing Dynamics of an Organoboron-Based Ultrapure Blue Emitter

  JACS Au · 2021 · 10.1021/jacsau.1c00179

• Spin–Vibronic Model for Quantitative Prediction of Reverse Intersystem Crossing Rate in Thermally Activated Delayed Fluorescence Systems

  Journal of Chemical Theory and Computation · 2019 · 10.1021/acs.jctc.9b01014

• Electric Field Keeps Chromophore Planar and Produces High Yield Fluorescence in Green Fluorescent Protein

  Journal of the American Chemical Society · 2016 · 10.1021/jacs.6b06833

• Highly Sensitive and Selective Biosensors Based on Organic Transistors Functionalized with Cucurbit[6]uril Derivatives

  Advanced Functional Materials · 2015 · 10.1002/adfm.201501587

• A structural remedy toward bright dipolar fluorophores in aqueous media

  Chemical Science · 2015 · 10.1039/c5sc01076d

• Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

  Molecular Physics · 2014 · https://doi.org/10.1080/00268976.2014.952696

• Poly-cyclodextrin and poly-paclitaxel nano-assembly for anticancer therapy

  Nature Communications · 2014 · 10.1038/ncomms4702

• All-Atom Semiclassical Dynamics Study of Quantum Coherence in Photosynthetic Fenna–Matthews–Olson Complex

  Journal of the American Chemical Society · 2012 · 10.1021/ja303025q

• Density functional calculations of electronic structure and magnetic properties of the hydrocarbon K3 picene superconductor near the metal-insulator transition

  Physical Review B · 2011 · 10.1103/physrevb.83.214510

• Characterization of Vinylgold Intermediates: Gold‐Mediated Cyclization of Acetylenic Amides

  Angewandte Chemie International Edition · 2011 · 10.1002/anie.201106132

• Mixed Quantum-Classical Description of Excitation Energy Transfer in a Model Fenna−Matthews−Olsen Complex

  The Journal of Physical Chemistry Letters · 2011 · 10.1021/jz200059t

• An improved algorithm for analytical gradient evaluation in resolution‐of‐the‐identity second‐order Møller‐Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis

  Journal of Computational Chemistry · 2007 · 10.1002/jcc.20604

• Charged polycyclic aromatic hydrocarbon clusters and the galactic extended red emission

  Proceedings of the National Academy of Sciences · 2007 · 10.1073/pnas.0609396104

• Scaled Second-Order Perturbation Corrections to Configuration Interaction Singles: Efficient and Reliable Excitation Energy Methods

  The Journal of Physical Chemistry A · 2007 · 10.1021/jp068409j

• Advances in methods and algorithms in a modern quantum chemistry program package

  Physical Chemistry Chemical Physics · 2006 · https://doi.org/10.1039/b517914a

• One-Dimensional Reaction Coordinate and the Corresponding Potential of Mean Force from Commitment Probability Distribution

  The Journal of Physical Chemistry B · 2005 · 10.1021/jp045544s

• Does Water Play a Structural Role in the Folding of Small Nucleic Acids?

  Biophysical Journal · 2005 · 10.1529/biophysj.104.055087

• How Well Can Simulation Predict Protein Folding Kinetics and Thermodynamics?

  Annual Review of Biophysics and Biomolecular Structure · 2004 · 10.1146/annurev.biophys.34.040204.144447

• Simulations of the role of water in the protein-folding mechanism

  Proceedings of the National Academy of Sciences · 2004 · 10.1073/pnas.0307898101

• Insights into Nucleic Acid Conformational Dynamics from Massively Parallel Stochastic Simulations

  Biophysical Journal · 2003 · 10.1016/s0006-3495(03)74520-2

• Multiplexed-Replica Exchange Molecular Dynamics Method for Protein Folding Simulation

  Biophysical Journal · 2003 · https://doi.org/10.1016/s0006-3495(03)74897-8

• Atomistic protein folding simulations on the submillisecond time scale using worldwide distributed computing

  Biopolymers · 2002 · https://doi.org/10.1002/bip.10219

Current projects

No projects listed.