Yifei Michelle Liu

AbbVie (United States) — United States

Materials Science · Physical Sciences

9h-index433citations26works10.02yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Machine Learning in Materials Science(7), Protein Structure and Dynamics(5), Metal-Organic Frameworks: Synthesis and Applications(5), Electrochemical sensors and biosensors(4), Genomics and Chromatin Dynamics(3)

Publications26 total

Lattice Free Energies of Molecular Crystals Using Normalizing Flow
2025
Lattice free energies of molecular crystals using normalizing flow
2025
Practical quantum advantage in drug discovery and development on today’s quantum resources
2025
Lattice free energies of molecular crystals using normalizing flow
2025· 1 citedOpen Access
Accurate Lattice Free Energies of Packing Polymorphs from Probabilistic Generative Models
Journal of Chemical Theory and Computation·2025· 4 citedOpen Access
Accurate Lattice Free Energies of Packing Polymorphs from Probabilistic Generative Models
2025Open Access
Accurate Lattice Free Energies of Packing Polymorphs from Probabilistic Generative Models
2024Open Access
Accurate Lattice Free Energies of Packing Polymorphs from Probabilistic Generative Models
2024Open Access
The seventh blind test of crystal structure prediction: structure ranking methods
Acta Crystallographica Section B Structural Science Crystal Engineering and Materials·2024· 59 citedOpen Access
The seventh blind test of crystal structure prediction: structure generation methods
Acta Crystallographica Section B Structural Science Crystal Engineering and Materials·2024· 65 citedOpen Access
Assessing the Accuracy and Efficiency of Free Energy Differences Obtained from <i>Reweighted</i> Flow-Based Probabilistic Generative Models
Journal of Chemical Theory and Computation·2024· 8 citedOpen Access
Assessing the accuracy and efficiency of free energy differences obtained from reweighted flow-based probabilistic generative models
2024· 1 citedOpen Access
Assessing the accuracy and efficiency of free energy differences obtained from reweighted flow-based probabilistic generative models
2024· 1 citedOpen Access
Assessing the accuracy and efficiency of free energy differences obtained from reweighted flow-based probabilistic generative models
2024· 1 citedOpen Access
Predicting crystal form stability under real-world conditions
Nature·2023· 83 citedOpen Access
Efficient Crystal Structure Prediction for Structurally Related Molecules with Accurate and Transferable Tailor-Made Force Fields
Journal of Chemical Theory and Computation·2022· 26 citedOpen Access
Efficient crystal structure prediction for structurally related molecules with accurate and transferable tailor-made force fields
2022· 4 citedOpen Access
Carbons with Regular Pore Geometry Yield Fundamental Insights into Supercapacitor Charge Storage
ACS Central Science·2019· 65 citedOpen Access
Amine Dynamics in Diamine-Appended Mg<sub>2</sub>(dobpdc) Metal–Organic Frameworks
The Journal of Physical Chemistry Letters·2019· 24 citedOpen Access
Can Metal–Organic Frameworks Be Used for Cannabis Breathalyzers?
ACS Applied Materials & Interfaces·2019· 7 citedOpen Access
page 1 of 2Next →

Frequent Co-authors

Ahmad Y. Sheikh(15), Edgar Olehnovics(11), Nada Mehio(11), Michael R. Shirts(11), Matteo Salvalaglio(11), Berend Smit(6), Dzmitry S. Firaha(5), H. Dietrich(5), Julian Helfferich(5), Alessandra Mattei(5), Marcus A. Neumann(5), Richard S. Hong(5), Nathan S. Abraham(4), Rajni M. Bhardwaj(4), Kiran Sasikumar(3), Doris E. Braun(3), Antonio G. DiPasquale(3), Lily M. Hunnisett(2), Jonas Nyman(2), Nicholas Francia(2)