PILSUN YOO
Purdue University
H-index: 13
North America-United States
Top articles of PILSUN YOO
GDB-9-Ex_TD-DFT-PBE0: Dataset containing Time Dependent Density Functional Theory (TDDFT) calculations for organic molecules of the GDB-9-Ex dataset.
2024/3/21
Pilsun Yoo
H-Index: 9
GDB-9-Ex_EOM-CCSD: Dataset containing Equation of Motion Coupled Cluster (EOM-CCSD) calculations for organic molecules of the GDB-9-Ex dataset.
2024/3/15
Pilsun Yoo
H-Index: 9
Large-scale atomistic model construction of subbituminous and bituminous coals for solvent extraction simulations with reactive molecular dynamics
Carbon
2024/2/14
Pilsun Yoo
H-Index: 9
Deep learning workflow for the inverse design of molecules with specific optoelectronic properties
Scientific Reports
2023/11/16
Pilsun Yoo
H-Index: 9
Pei Zhang
H-Index: 5
Multiple redox mechanisms for water-gas shift reaction on Fe3O4 (1 1 1) surface: A density functional theory and mean-field microkinetic modeling study
Applied Surface Science
2023/9/1
Pilsun Yoo
H-Index: 9
Peilin Liao
H-Index: 21
Two excited-state datasets for quantum chemical UV-vis spectra of organic molecules
Scientific Data
2023/8/21
Pilsun Yoo
H-Index: 9
Supplementary material for ORNL_AISD-Ex
2023/6/28
Pilsun Yoo
H-Index: 9
Supplementary material for GDB-9-Ex
2023/6/28
Pilsun Yoo
H-Index: 9
High-pressure and temperature neural network reactive force field for energetic materials
The Journal of Chemical Physics
2023/4/14
ORNL_AISD-Ex: Quantum chemical prediction of UV/Vis absorption spectra for over 10 million organic molecules
2023/1/12
Pilsun Yoo
H-Index: 9
Gdb-9-ex: Quantum chemical prediction of UV/VIS absorption spectra for gdb-9 molecules
2022/11/22
Pilsun Yoo
H-Index: 9
Making large-scale construction of complex structures more accessible with PyMOL
2022
Pilsun Yoo
H-Index: 9
INVESTIGATION OF CHEMISTRY IN MATERIALS USING FIRST-PRINCIPLES METHODS AND MACHINE LEARNING FORCE FIELDS
2021/7/22
Pilsun Yoo
H-Index: 9
Catalytic light alkanes conversion through anaerobic ammodehydrogenation
ACS Catalysis
2021/6/16
Neural network reactive force field for C, H, N, and O systems
npj Computational Materials
2021/1/22
A Surface‐Oxide‐Rich Activation Layer (SOAL) on Ni2Mo3N for a Rapid and Durable Oxygen Evolution Reaction
Angewandte Chemie International Edition
2020/10/5
Structural Tunability and Diversity of Two‐Dimensional Lead Halide Benzenethiolate
Chemistry–A European Journal
2020/3/19
First principles study on hydrogen doping induced metal-to-insulator transition in rare earth nickelates RNiO 3 (R= Pr, Nd, Sm, Eu, Gd, Tb, Dy, Yb)
Physical Chemistry Chemical Physics
2020
Pilsun Yoo
H-Index: 9
Peilin Liao
H-Index: 21
Facile synthesis of Pt carbide nanomaterials and their catalytic applications
ACS Materials Letters
2020/12/31
