85 citations · 457 across the 12 of their papers we have counts for
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cs.CE2017★ 29 cited
An Atomistic Fingerprint Algorithm for Learning Ab Initio Molecular Force Fields
Yu-Hang Tang, Dongkun Zhang, George Em Karniadakis
Molecular fingerprints, i.e. feature vectors describing atomistic neighborhood configurations, is an important abstraction and a key ingredient for data-driven modeling of potentia…
physics.bio-ph2017★ 66 cited
OpenRBC: A Fast Simulator of Red Blood Cells at Protein Resolution
Yu-Hang Tang, Lu Lu, He Li +4
We present OpenRBC, a coarse-grained molecular dynamics code, which is capable of performing an unprecedented in silico experiment --- simulating an entire mammal red blood cell li…