Miller Group Caltech @MillerCaltech
News and updates from the research group of @tfmiller3, Caltech. Student-run account. millergroup.caltech.edu Pasadena, CA Joined October 2017-
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Miller Group Caltech retweeted
Do you need advice with putting together your grad school application? CGSC and @Caltechdici are back hosting another webinar answering all of your burning grad school application questions with help from current @Caltech students 💬. 📅: Thursday, Nov. 3 ⏰: 9 am PST 📍: Zoom
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Congrats to James and @XZhangChem on their latest work on polyolefin catalysis! pubs.acs.org/doi/10.1021/ac…
Congrats @sunjiace!
Excited to share my new collaborative work with our @MillerCaltech group visiting scholar Prof. Yongle Li! Using Cayley propagator to run an efficient rxn RPMD! Available on @jctc_papers
Congrats @sunjiace and @SherryLixueC!
Excited to share our newly accepted paper: aip.scitation.org/doi/10.1063/5.… on @JChemPhys. We show how to extend MOB-ML to model molecular dipole moment. Proud to be the first author of this work! Thank @tfmiller3 and @SherryLixueC for your support too!
Check out @ZhuoranQ's latest paper, with @AnimaAnandkumar and @EntosAI pnas.org/doi/10.1073/pn…
Congratulations to group alumni and graduate students @SherryLixueC, @sunjiace, @edeustuas and @vcbhethana on their latest MOB-ML paper! arxiv.org/abs/2207.08317
Miller Group Caltech retweeted
Excited to have this work published on JCTC @jctc_papers! We hope this work could also enlight the ML for electronic structure field on unsupervised learning & chemical space explorations pubs.acs.org/doi/10.1021/ac…
(3) arxiv.org/abs/2204.09831 We further improve the clustering + local GP framework by using an interpretable and fast unsupervised clustering + AltBBMM GPR. We also achieve the best accuracy to our knowledge for QM7b-T (0.157kcal/mol) and GDB13-T (0.462kcal/mol/7HA).
Congratulations to recent graduate James and former postdoc @XZhangChem on their latest collaboration with the Agapie group! pubs.acs.org/doi/abs/10.102…
Congratulations on a great defense today to James Lawniczak on Computational Investigations of Organometallic Catalysis! We wish you all the best!
Check out the latest collaboration of @SherryLixueC @sunjiace, @sebjrlee and @edeustuas with the McCoy group! pubs.acs.org/doi/abs/10.102…
Check out the latest installment of the MOB-ML work from grad student @sunjiace and recent graduate @SherryLixueC! arxiv.org/abs/2205.15510
Congratulations to Daniel Jacobson on a great thesis defense today on Reactive Deposition of Brownian Particles! Best of luck in your future endeavors!
Miller Group Caltech retweeted
Please allow me to summarize some achievements of MOB-ML after 2019 here :) (1) MOB features are improved with an updated feature ordering & size-consistency aip.scitation.org/doi/abs/10.106…. We reach 1kcal/mol accuracy with 70 structures & apply MOB-ML to various challenging systems.
Congratulations on a great thesis defense today, Jorge! @jrosaraices We wish you all the best in your postdoc and beyond!
Congratulations to recent graduate @SherryLixueC and @sunjiace on their latest paper! arxiv.org/abs/2204.09831
Check out Dan's latest paper on arxiv on Compact-to-Dendritic Transition in the Reactive Deposition of Brownian Particles! arxiv.org/abs/2204.01173
Check out postdoc Tomislav's and recent graduate @Xuecheng_1995 's latest paper on Equilibrium–nonequilibrium ring-polymer molecular dynamics for nonlinear spectroscopy! Congrats, guys! aip.scitation.org/doi/full/10.10…
Congratulations to grad students @Xuecheng_1995 and @SherryLixueC on their great PhD defenses last week and today! Best of luck in your next projects!
Read about our labmate and friend @RomanKorol7's thoughts on the situation in his native Ukraine and what he's doing to help. More info on how to contribute to relief efforts: its.caltech.edu/~rkorol/activi…
Caltech graduate student Roman Korol, a Ukrainian citizen, has found himself hopelessly preoccupied by the war in his homeland. He has found support from the Caltech community in his recent effort to collect humanitarian supplies for his compatriots: caltech.edu/about/news/org…
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