3 papers
cs.LG2025
Exploring Protein Language Model Architecture-Induced Biases for Antibody Comprehension
Mengren, Liu, Yixiang Zhang +2
Recent advances in protein language models (PLMs) have demonstrated remarkable capabilities in understanding protein sequences. However, the extent to which different model archite…
cond-mat.mtrl-sci2025
Accelerating and enhancing thermodynamic simulations of electrochemical interfaces
Xiaochen Du, Mengren Liu, Jiayu Peng +6
Electrochemical interfaces are crucial in catalysis, energy storage, and corrosion, where their stability and reactivity depend on complex interactions between the electrode, adsor…
cond-mat.mtrl-sci2023
Reinforcement learning-guided long-timescale simulation of hydrogen transport in metals
Hao Tang, Boning Li, Yixuan Song +5
Atomic diffusion in solids is an important process in various phenomena. However, atomistic simulations of diffusion processes are confronted with the timescale problem: the access…