2017


Leanne Chen joins the group as a postdoctoral fellow. Welcome, Leanne!

Brett Savoie, Miller group postdoc, departs for an assistant professorship position at Purdue University. Congratulations and good luck, Brett!

Ioan receives the 2017 Institute of Physics Computational Group Annual PhD Thesis Prize for his graduate work at the University of Edinburgh. Well done, Ioan!

The group participated in the TheoChem 2.0 conference held at the University of Irvine, with nine group members presenting their work in posters. Group photo below!
Congratulations to Feizhi for claiming the championship at the First Annual Miller Group Ping-Pong Tournament!

Philip Shushkov wins a German Science Foundation research fellowship (DFG). Bravo Philip!

Sebastian Lee passes candidacy. Bravo, Sebastian!

Feizhi's paper on embedded mean-field theory with block-orthogonalized partitioning is accepted for publication in the Journal of Chemical Theory and Computation. Congratulations, Feizhi!

Michiel's paper on structurally detailed coarse-grained model for Sec-facilitated co-translational protein translocation and membrane integration is accepted for publication in PLoS Computational Biology. Congratulations, Michiel!

New success for Miller-Manby collaboration. Their paper on correcting density-driven errors in projection-based embedding is accepted for publication in the Journal of Chemical Physics. Congratulations!

Jeongmin, Xuecheng, Matthew, Daniel and Jorge joined the group! Welcome to all!

Michiel receives an EMBO travel grant to present a poster at the "Protein translocation and cellular homeostasis" EMBO meeting in Dubrovnik. Bravo Michiel!

A review of the Miller group’s effort to design polymer electrolytes for safe and high capacity rechargeable lithium batteries is accepted for publication in Accounts of Chemical Research. A fantastic collaboration!

Brett's paper on enhancing cation diffusion and suppressing anion diffusion via Lewis-acidic polymer electrolytes is accepted for publication in Chemical Physics Letters. Congratulations, Brett!

Philip Shushkov joins the group as a postdoctoral fellow. Welcome, Philip!

2016

Matt Welborn receives a postdoctoral fellowship from the Resnick Institute. Congratulations, Matt!

Ralph's paper in collaboration with the Althorpe group on non-equilibrium dynamics from RPMD and CMD is accepted for publication in the Journal of Physical Chemistry. Bravo, Ralph!

Michiel Niesen wins a poster prize at the CCE Seminar Day for his work on coarse-grained modeling of membrane protein integration via the sec-translocon. Bravo, Michiel!.

Ioan-Bogdan Magdau joins the group as a postdoctoral fellow. Welcome, Ioan!

Matt Welborn joins the group as a postdoctoral fellow. Welcome, Matt!

Mike's paper in collaboration with the Bowman group on equilibrium clumped-isotope effects in doubly substituted isotopologues of ethane is accepted for publication in Geochimica et Cosmochimica Acta. Congratulations, Mike!

Ralph's paper in collaboration with the Dawlaty group on how increased hydrogen bonding can hinder excited-state proton transfer is accepted for publication in the Journal of Physical Chemistry Letters. Congratulations, Ralph!

Michiel's paper in collaboration with the Clemons group on a link between integral membrane protein expression and simulated integration efficiency is accepted for publication in Cell Reports. Bravo, Michiel!

Mike's paper in collaboration with the Balsara and Coates groups on the universal relationship between conductivity and solvation-site connectivity in ether-based polymer electrolytes is accepted for publication in Macromolecules. Bravo, Mike!

Josh's paper on kinetically-constrained ring-polymer molecular dynamics for non-adiabatic chemistries involving solvent and donor-acceptor dynamical effects is accepted for publication in Faraday Discussions. Congratulations, Josh!

Naveen Arunachalam, Collin Davda, and Ardavan Farahvash join the Miller group as summer undergraduate research fellows. Welcome!

Congratulations to Connie Wang and Mike Webb for graduating!

Congratulations to Mike Webb for receiving the 2016 McCoy Award, which recognizes outstanding chemistry graduate students at Caltech! Mike is the first chemical engineering graduate student to receive this award, and he presented his thesis work on ion transport in polymer electrolytes at the McCoy Awards Symposium.

Ralph's paper in collaboration with the Blake group on coherent two-dimensional terahertz-terahertz-Raman spectroscopy is accepted for publication in PNAS. Bravo, Ralph!

Mike Webb successfully defends his PhD thesis! Great job and congratulations, Mike!

Connie Wang successfully defends her PhD thesis! Well done and congratulations, Connie!

Sebastian Lee receives a research fellowship from the Resnick Institute to promote research in energy and sustainability science. Congratulations, Sebastian!

Tom gives a Caltech Watson Lecture, entitled “Signed, Sealed, Delivered: How Proteins Get Where They’re Supposed to Go in Cells". Read the abstract here and watch the video here.

Tom and other group members participate in a Pre-Watson dinner event with the Caltech Associates. See the photos here!

Sebastian Lee and Brooke Zhao join the group as a graduate students. Welcome!

Mike's paper in collaboration with the Balsara and Coates groups on the effect of monomer structure on ionic conductivity in a systematic set of polyester electrolytes is accepted for publication in Solid State Ionics. Bravo, Mike!

Bin Zhang, former Miller group graduate student, receives an assistant professorship position at MIT, starting in 2016. Congratulations and good luck, Bin!

Reid Van Lehn, Miller group postdoc, departs for an assistant professorship position at the University of Wisconsin. We’ll miss you, Reid!

Bhavin Shah, Miller group summer high school student, wins 2nd place in the Engineering Research category of the LA County Science Fair for his work on diffusivity and solvation of alkali and halide ions in solid and liquid electrolytes. Good job, Bhavin!

Connie Wang wins the outstanding student poster award at the ACS San Diego Meeting for her work on modeling of lithium deposition and dissolution during battery cycling. Bravo, Connie!

Michiel Niesen wins a student research achievement award at the Biophysical Society 60th Annual Meeting for his work on coarse-grained modeling of membrane protein integration via the sec-translocon. Bravo, Michiel!

Mike Webb wins a poster prize at the Berkeley Mini Stat Mech Meeting for his work on modeling polymer electrolytes for lithium-ion batteries. Congratulations, Mike!

Reid Van Lehn is named among Forbes Magazine's 30 outstanding scientists under the age of 30 ! A big congratulations!

2015

Congratulations to Mike Webb for receiving the ACS Chemical Computing Group Excellence Award for Graduate Students! Bravo!

Josh's paper on tipping the balance between concerted versus sequential proton-coupled electron transfer is accepted for publication in Inorganic Chemistry. Bravo, Josh!

Ralph Welsch wins the outstanding poster prize at the 2015 Symposium on Theoretical Chemistry in Potsdam, Germany. Congratulations, Ralph!

Feizhi Ding joins the group as a postdoctoral fellow. Welcome, Feizhi!

Reid and Bin's paper on the regulation of multispanning membrane protein topology via post-translational annealing is accepted for publication in eLife. Good job, Reid and Bin!

Mike and Brett's paper on a chemically specific dynamic bond percolation model for ion transport in polymer electrolytes is accepted for publication in Macromolecules. Congratulations, Mike and Brett!

Reid Van Lehn will be joining the faculty of the University of Wisconsin-Madison Department of Chemical and Biological Engineering in August of 2016. Bravo, Reid!

Ralph Welsch wins a poster prize at the Dynamics of Molecular Collisions Meeting for his work on full-dimensional state-to-state reaction probability calculations for six atomic reactions. Congratulations, Ralph!

Mike Webb gives a talk entitled "Path-integral methods for evaluating equilibrium isotope effects: applications to clumped and position-specific stable isotope studies" at Isotopes 2015 Meeting in Jerusalem, Israel.

Congratulations to Taylor Barnes and Josh Kretchmer for graduating!

Taylor Barnes wins the Admiral Grace Murray Hopper Distinguished Fellowship in Computational Science at NERSC. Bravo, Taylor!

Brett Savoie wins the 2015 Postdoctoral Award from the Physical Chemistry Division of the American Chemical Society. Good work, Brett!

Brett Savoie gives a talk entitled "Screening polymer electrolytes for better batteries: How we continue to catch the wrong ion" at the ICQC Meeting in Changchun, China.

Mike and Brett's paper on the systematic computational and experimental investigation of lithium-ion transport mechanisms in polyester-based polymer electrolytes is accepted for publication in ACS Central Science. Bravo, Mike and Brett!

Frank's paper on electronic coherence and kinetics of inter-complex energy transfer in light-harvesting systems is accepted for publication in PCCP. Congratulations, Frank!

Joonho Lee passes candidacy. Bravo, Joonho!

Congratulations to Taylor on successfully defending his PhD thesis!

Pengfei (Frank) Huo, a Miller group postdoc, receives an assistant professorship position at the University of Rochester. Good job, Frank!

Jason Goodpaster, former Miller group graduate student, receives an assistant professorship position at the University of Minnesota, starting in 2016. Congratulations and good luck, Jason!

Nandini Ananth, assistant professor at Cornell and former Miller group postdoc, receives a 2015 Sloan Research Fellowship! Congratulations, Nandini!

Taylor wins the 2015 NERSC Early Career Award for Innovative Use of High-Performance Computing. Congratulations, Taylor!

Michiel gives a talk entitled "Coarse-grained modeling of minute-timescale co-translational membrane protein integration via the Sec-translocon" at the Biophysical Society Meeting in Baltimore.

Tom wins the ACS Physical Division Early-Career Award in Theoretical Chemistry!

Taylor's recent paper was selected to be featured on the cover of JPC-C!

Taylor's paper on the ab initio characterization of the electrochemical stability and solvation properties of battery electrolytes is accepted for publication at JPC-C as a Feature Article. Congratulations, Taylor!

Mark and Joonho's paper on embedded mean-field theory is accepted for publication in JCTC. Bravo, Mark and Joonho!

Prof. Stuart Althorpe of Cambridge University joins the Miller group for a sabbatical. Welcome, Stuart!

Reid Van Lehn joins the group as a NIGMS NRSA postdoctoral fellow. Welcome, Reid!

Ralph Welsch joins the group as a DFG postdoctoral fellow. Welcome, Ralph!

Josh Kretchmer graduates and departs for a postdoc at Princeton. Congratulations and good luck, Josh. We'll miss you!

Lila Forte joins the group as a NSF graduate research fellow. Welcome, Lila!

Alex Vaschillo joins the group as a NSF graduate research fellow. Welcome, Alex!

2014

Congratulations to Josh on successfully defending his PhD thesis!

Eric Sundstrom joins the group as a postdoctoral fellow. Welcome, Eric!

Brett Savoie joins the group as a postdoctoral fellow. Welcome, Brett!

Connie's paper on allosteric signalling and response in the signal recognition particle is accepted for publication in the Journal of Biological Chemistry.  Bravo, Connie!

Frank gives a talk entitled "Intra-molecular proton transfer and hydrogen evolution mechanism in cobalt catalysts" at the American Chemical Society conference in San Francisco.

Michiel wins the Josephine Dumke Fellowship.  Congratulations, Michiel!

Josh wins the The Journal of Physical Chemistry outstanding poster presentation at the American Conference on Theoretical Chemistry.   Congratulations, Josh!

Mike gives a talk entitled "Path-integral Methods for Isotope Geochemistry" for the Earth, Planetary, and Space Sciences division's at UCLA.

Michiel passes candidacy.  Congratulations, Michiel!

Frank wins the 2014 ACS Physical Chemistry Division Postdoctoral Research Award. Congratulations Frank!

Jason and Artur

Congratulations to Jason on successfully defending his PhD thesis!

Congratulations to Artur on successfully defending his PhD thesis!

Fran wins a scholarship to the ATPESC Extreme Scale Computing Training Program. Congratulations, Fran!

The new Miller group computer cluster Tachus is up and running! Tachus has 960 compute cores made up of Intel Xeon 2.6 GHz processors with 120 TB of disk storage.

Fred Manby heads back to Bristol after a year-long sabbatical. We'll miss you, Fred!

Frank is recognized as a Top Reviewer for JCP. Congratulations Frank!

Connor Coley joins the Miller Group as a undergradute student. Welcome, Connor!

Mark Fornace joins the Miller Group as a grad student. Welcome, Mark!

Mike's paper on the path-integral calculation of heavy-atom isotope effects is accepted at JPC-A. Congrats, Mike!

Jason and Taylor's latest paper on accurate and systematically improvable density functional theory embedding for correlated wavefunctions is accepted at JCP. Great work!

Artur and Fran's paper on non-adiabatic ring-polymer molecular dynamics is accepted at JCP. Great work!

Franziska Bell wins a poster prize at the Berkeley Mini Stat Mech Meeting for her work on non-adiabatic ring-polymer molecular dynamics. Congratulations, Fran!

2013

Nicholas Boekelheide departs the group for a faculty position at Colby College. Good luck, Nick!

Congratulations to Jason Goodpaster for receiving the ACS Chemical Computing Group Excellence Award for Graduate Students! Bravo!

Josh Kretchmer and Jason Goodpaster receive APS Division of Chemical Physics Graduate Student Travel Awards. Great work!

Franziska Bell receives the APS New Investigator Travel Award. Great work!

Joonho Lee joins the Miller Group as a grad student. Welcome, Joonho!

Frank's paper on semiclassical methods for the accurate description of condensed-phase electron transfer is accepted as a JCP Communication. Congratulations, Frank!

Taylor's paper on accurate basis set truncation for wavefunction embedding methods is accepted for publication at JCP. Congratulations, Taylor and Jason!

Congratulations to Bin Zhang for receiving the 2013 McCoy Award, which annually recognizes outstanding chemistry graduate students at Caltech! Bin will present his thesis work on Protein Translocation and Membrane Integration at the McCoy Awards Symposium in June.

Congratulations to Nick Boekelheide on successfully defending his PhD thesis!

Tom is awarded the 2013 Camille Dreyfus Teacher-Scholar Award. Read more here.

Tom receives tenure and promotion to full professor. All right!

Josh's paper on the direct simulation of proton-coupled electron transfer dynamics is accepted for publication at JCP. Congratulations, Josh!

Miller group research on Li batteries is quoted in the Wall Street Journal.

Our new paper on long range proton-coupled electron transfer is accepted at JPC Letters. Congratulations, Artur and Josh!

The ring-polymer molecular dynamics review article is now published online at Annu. Rev. Phys. Chem. Enjoy!

Michiel Niesen joins the Miller Group as a grad student. Welcome, Michiel!

2012

Matt's paper on the suppression of dendrite formation in Li metal batteries is accepted at JPC-C. Congratulations, Matt and Kuba!

Jason's new paper on improved embedded DFT methods for open-shell systems and transition-metal complexes is accepted at JCP. Congratulations, Jason and Taylor!

Our recent JCTC paper on density functional theory embedding is selected by Computational Chemistry Highlights. Read about it here. It has also been identified as one of the most read JCTC articles from the third quarter of 2012. Great news!

Bin’s recent Cell Reports paper on protein translocation receives press attention in ScienceDaily, Phys.org, Biology News, R&D Mag, e! Science News, NanoWerk, Caltech News, NERSC News , ...

Congratulations to Bin Zhang on successfully defending his PhD thesis! The first Miller group doctorate!

Bin’s paper on the long-timescale dynamics and regulation of Sec-facilitated protein Translocation is accepted in Cell Reports. Congratulations, Bin!

Bin’s paper on the direct simulation of early-stage Sec-facilitated protein translocation is accepted in JACS. Congratulations, Bin!

Our paper describing a simple, exact DFT embedding scheme is accepted at JCTC, and it is one of the 5 most-read papers of the month. Bravo!

Nandini Ananth departs the group for a faculty position at Cornell University. Good luck, Nandini!

Tom receives the Associated Students of Caltech (ASCIT) Teaching Award. Congratulations, Tom!

Matt is awarded the Jack E. Froehlich Memorial Award. Congratulations, Matt!

Connie Wang receives an NSF graduate research fellowship. Congratulations, Connie!

Michael Webb receives a research fellowship from the Resnick Institute to promote research in energy and sustainability science. Congratulations, Mike!

Matt wins 3rd place overall in the Perpall Speaking Competition at Caltech, describing his research on lithium dendrite formation. Congratulations, Matt!

Nicholas Boekelheide wins a poster prize at the Berkeley Mini Stat Mech Meeting for his work on enzyme dynamics. Congratulations, Nick!

Nandini’s paper on flux-correlation approaches to characterizing reaction pathways in proton-coupled electron transfer appears in the Bill Miller Special Issue of Mol. Phys. Congratulations, Nandini!

Michael Webb passes candidacy. Congratulations, Mike!

Connie Wang passes candidacy. Congratulations, Connie!

Franziska Bell joins the Miller Group as a postdoctoral fellow. Welcome, Fran!

Pengfei (Frank) Huo joins the Miller Group as a postdoctoral fellow. Welcome, Frank!

Maria Karelina and Dominique Evans-Bye join the Miller Group as a high-school student-teacher research team. Welcome, Masha and Dominique!

2011

Tom receives a National Science Foundation CAREER Award. Congratulations, Tom!

Josh Kretchmer receives an NSF graduate research fellowship. Congratulations, Josh!

Tom receives the ACS Hewlett-Packard Outstanding Junior Faculty Award. Congratulations, Tom!

Bin Zhang wins the Chemical Computing Group Excellence Award at the ACS National Meeting in Anaheim for his work on the Sec translocon. Congratulations, Bin!

Matt receives the Barry Goldwater Scholarship. Congratulations, Matt!

Matt is awarded the Fredrick J. Zeigler Memorial Award in mathematics at Caltech. Congratulations, Matt!

Tom is a Distinguished Speaker at the China Lake Naval Air Weapons Station. Congratulations, Tom!

Nick’s paper on dynamics and dissipation in enzyme catalysis is accepted at PNAS. Congratulations, Nick and Romelia!

Artur’s paper on the direct simulation of electron transfer using RPMD is accepted at JCP. Congratulations, Artur and Nandini!

Jason’s paper on embedded DFT for strongly interacting subsystems is accepted at JCP. Congratulations, Jason and Taylor!

Michael Webb joins the Miller Group as a grad student. Welcome, Mike!

Jakub Kaminski joins the Miller Group as a postdoctoral fellow. Welcome, Kuba!

Josh Kretchmer passes candidacy. Congratulations, Josh!

Taylor Barnes passes candidacy. Congratulations, Taylor!

Skyler Saleebyan and Sueng-Mee Seo join the Miller Group as a high-school student-teacher research team. Welcome, Skyler and Sueng-Mee!

2010

Tom receives an Alfred P. Sloan Research Fellowship. Congratulations, Tom!

Nicholas Boekelheide receives an NSF graduate research fellowship. Congratulations, Nick!

Artur’s recent paper receives the Editor’s Choice Selection from the Journal of Chemical Physics (2010). Congratulations, Artur! [J. Chem. Phys., 132, 034106 (2010).]

Bin’s paper on the hydrophobically stabilized open-state of the Sec translocon is accepted at PNAS. Congratulations, Bin!

Nandini’s paper on exact path integral statistics in continuous variables is accepted at JCP. Congratulations, Nandini!

Jason’s paper on exact non-additive kinetic potentials for embedded DFT is accepted at JCP. Congratulations, Jason and Nandini!

Artur’s paper on excess electron injection and trapping is accepted at JCP. Congratulations, Artur!

Nicholas Boekelheide passes candidacy. Congratulations, Nick!

Jason Goodpaster passes candidacy. Congratulations, Jason!

Connie Wang joins the Miller Group as a grad student. Welcome, Connie!

Matthew Mayers joins the Miller Group as an undergraduate research fellow. Welcome, Matt!

Kyle Priver and Darius Hines join the Miller Group as a high-school student-teacher research team. Welcome, Kyle and Darius!

2009

Taylor Barnes wins a National Defense Science and Engineering (NDSEG) Graduate Fellowship. Congratulations, Taylor!

Taylor Barnes wins a Phi Kappa Phi Fellowship for graduate study. Congratulations, Taylor!

Tom receives a Department of Energy INCITE Award. Congratulations, Tom!

Romelia Salomon-Ferrer departs the group for a research position at the San Diego Supercomputer Center. Good luck, Romelia!

Artur Menzeleev passes candidacy. Congratulations, Artur!

Bin Zhang passes candidacy. Congratulations, Bin!

Joshua Kretchmer joins the Miller Group as a grad student. Welcome, Josh!

Taylor Barnes joins the Miller Group as a grad student. Welcome, Taylor!

Ye Lu joins the Miller Group as a summer undergraduate research fellow. Welcome, Ye!

Sherry Chen joins the Miller Group as a summer undergraduate research fellow. Welcome, Sherry!

Philip Sang and Christine Kye join the Miller Group as a high-school student-teacher research team. Welcome, Phil and Christine!

2008

Tom receives a Camille and Henry Dreyfus Foundation New Faculty Award. Congratulations, Tom!

Tom’s paper on excess electron diffusion is accepted at JCP. The first paper out of the group!

Bin Zhang receives the Caltech LiMing Scholarship. Congratulations, Bin!

Bernardo Araujo receives a Fulbright Scholarship. Congratulations, Bernardo!

Romelia Salomon-Ferrer joins the Miller group as a postdoctoral fellow. Welcome, Romelia!

Nandini Ananth joins the Miller group as a postdoctoral fellow. Welcome, Nandini!

Todd Gingrich joins the Miller Group as a undergraduate summer researcher. Welcome, Todd!

Bernardo Araujo joins the Miller and Mayo Groups as a grad student. Welcome, Bernardo!

Jason Goodpaster joins the Miller Group as a grad student. Welcome, Jason!

Nicholas Boekelheide joins the Miller Group as a grad student. Welcome, Nick!

Artur Menzeleev joins the Miller Group as a grad student. Welcome, Artur!

Bin Zhang joins the Miller Group as a grad student. Welcome, Bin!

June 1, 2008 – Tom joins the Caltech faculty. May the fun begin!