185 citations · 636 across the 21 of their papers we have counts for
22 papers
A comparison between particle and fluid approaches for streaming instability in global patch simulations
Dominik Hetzel Ostertag, Mario Flock, Paul Rosendahl +3
Identifying the process relevant to planet formation is still a major task. Mechanisms have been identified that can trap dust, preventing it from migrating inwards. A particular h…
Voltage-embedded equivariant machine learning potential for open system simulations
Yiming Guan, Rongzhi Gao, ChiYung Yam +2
Modeling electrochemical interfaces under operational non-equilibrium conditions is vital for energy technologies but remains bottlenecked by the expensive cost of ab initio method…
A foundation machine learning potential with polarizable long-range interactions for materials modelling
Rongzhi Gao, ChiYung Yam, Jianjun Mao +3
Long-range interactions are essential determinants of chemical system behaviour across diverse environments. We present a foundation framework that integrates explicit polarizable…
Predictions of photophysical properties of phosphorescent platinum(II) complexes based on ensemble machine learning approach
Shuai Wang, ChiYung Yam, Shuguang Chen +6
Phosphorescent metal complexes have been under intense investigations as emissive dopants for energy efficient organic light emitting diodes (OLEDs). Among them, cyclometalated Pt(…
Molecular Dynamics Study of Plasmon-Mediated Chemical Transformations
Xiaoyan Wu, Tammo van der Heide, Thomas Frauenheim +3
Heterogeneous catalysis of adsorbates on metallic surfaces mediated by plasmon has potential high photoelectric conversion efficiency and controllable reaction selectivity. Theoret…
Fano resonance and incoherent interlayer excitons in molecular van der Waals heterostructures
Carlos R. Lien-Medrano, Franco P. Bonafé, Chi Yung Yam +3
Complex van der Waals heterostructures from layered molecular stacks are promising optoelectronic materials offering means to efficient, modular charge separation and collection la…