Yuanyue Liu
@YuanyueL
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Associate professor @ UT Austin, computational material scientist, studying electrochemistry, electronic transport, and 2D materials
Austin, TX
Joined March 2020
@J_A_C_S @UTAustin @CockrellSchool @utmechengr question to chemist: What molecule has a structure closest to this site? It would be great to have a convenient name. @ACSCOMP @ACSCATLDivision
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I am honored to be on this list again, and very grateful to my students, postdocs, collaborators, and mentors to make this happen! #HighlyCited2024 Clarivate Highly Cited Researchers 2024
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Happy to see our CP-VASP code is being used by more and more people! Theoretical insights on potential-dependent oxidation behaviors and antioxidant strategies of MXenes | Nature Communications
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Working on electron transport? Please consider presenting your work in APS 2025 Focused Session "First Principles Studies of Electronic Transport". The abstract is due on Oct. 25, 2024, at 5 p.m. ET.
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@ACSCOMP For the postdoc position, we are particularly interested in candidates with experience in one of the following areas: (1) development of machine learning models; (2) carrier transport/dynamics; (3) quantum embedding/computing/information. @ChemPostdocBot #compmater
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@ACSCOMP @ACSCATLDivision Some key features for CP-VASP 2.0: 1. "Flash solvation" method to avoid "flying water" problem in MD 2. “True” grand canonical ensemble for electron dynamics 3. Support both vaspsol and vaspsol++ Feel free to let us us know your feedback
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@ZacconeAlessio @utmechengr @UTAustin It depends, as shown in Fig. 1. Generally speaking, the agreement with FS model is good when the scattering is very diffusive or very specular, but not for the middle range.
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@KManthiram @MooreFound @ManthiramLab @ksjinerg @chung_minju @ChenyuJ98 @JasonSAdams @KP_Koner Congratulations!
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