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  • 05/24: It's graduation season. Henry passed his PhD defense today! Title: "Modern Quantum Chemistry with GPU Acceleration." Congratulations, Dr. Wang! We wish you best of luck in your next chapters! 
  • 05/16: Today, Soren passed his PhD defense! Title: "The Dynamics and Mechanisms of Molecular Reactions under Tension." Congratulations, Dr. Holm! Wish you best of luck in your future endeavors!



  • We have a new article published in JCP, QuTree: A tree tensor network package. Congrats to Roman, Grace, Stefan, and Harry! 
  • 03/22: Happy Birthday Todd! Our group celebrated Todd's 56th Birthday. 



  • 01/29-01/30: Todd presented in the joint Stanford-SNU symposium between Stanford Chemistry and Seoul National University (SNU), titling "Discovering Chemistry and Photochemistry from First Principles Molecular Dynamics."






  • The Martínez Group retreat took place in Sept. 11-14 in Santa Cruz, California. Thanks to our great organization committee: Jan, Nancy, Jonathan, and Colton!  



  • Congrats Harry for entering the Stanford Chemistry Ph.D. program and he is now officially a graduate student in the group. Welcome Harry!  


  • The Martínez Group participated in ACS Fall 2023 and presented our recent work:
    • Division of Computers in Chemistry [COMP]:
      • Colton Hicks: Commoditizing distributed quantum chemistry at scale: BigChem and ChemCloud
      • Cody Aldaz: Reaction template Studio: A computer program for efficient chemical reaction manipulation and analysis
      • Martin Stoehr: Supercharging semi-empirical Quantum Chemistry with Machine Learning
      • Vinicius Cruzeiro: 1b1 splitting in the X-ray emission spectrum of liquid water is dominated by ultrafast dissociation
      • Pablo Unzueta: Accelerating the ab initio multiple spawning method with machine learning
      • Amiel Paz: Recovering dynamic correlation for SA-CASSCF with diabatic shifts: The diabatize-shift-diagonalize method
      • Bhaskar Rana: Simulating the excited-state dynamics of polaritons with ab initio multiple spawning
      • Rui Xu: Automatic first principles reaction discovery from ab initio molecular dynamics to chemical kinetics prediction for methane pyrolysis
    • Division of Physical Chemistry [PHYS]:
      • Diptarka Hait: Nonradiative relaxation mechanisms for electronic excited states of radical ions
    • Division of Polymer Chemistry [POLY]:
      • Todd Martínez: Static and dynamic aspects in mechanochemistry
  • Dr. Lixin Lu and Dr. Melisa Alkan join the group as postdoctoral scholars. Welcome Lixin and Melisa! 
  • We have a new collaboration paper published in Nature Materials, Photo-actuators via epitaxial growth of microcrystal arrays in polymer membranes. Congrats to our group alumni David Sanchez and Umberto Raucci!




  • 05/25: The Martinez group had a farewell party for Elisa and Alessio, and celebrated the time they spent with the group. Looking forward and all the best to their new chapter in North Carolina!  














  • 03/13: Grace passed her thesis defense today! Title: "Quantum Chemistry and Quantum Simulation at Scale: Leveraging Modern Computing Paradigms and Hardware." Congratulations, Dr. Johnson! Best of luck in your in your next chapter!





  • 12/15: Happy Holidays! The Martínez Group had the annual holiday potluck, and farewelled Jacki, David, Brandon, and Andreas. 
  • 12/03: The Martínez Group members participated in Stanford Splash, an outreach program for grades 8-12 students to explore Stanford research and education. Pablo, Henry, Jan, and Laura showcased our IMD (Interactive Molecular Dynamics) software - InteraChem to explore real chemistry in virtual reality. 










  • 11/10: The Martínez Group had a Noktoberfest (a November version of Oktoberfest) today. Thanks to Martin, Pablo, David, and Roman for organizing this event! 




  • 11/08: Today, Hayley successfully defended her thesis titled "Towards Accessible Quantum Chemistry and Automated Photochemical Design via Machine Learning and Nonadiabatic Dynamics Simulation." Congratulations, Dr. Weir! Wish you all the best in your future endeavors!



  • 10/27: The Martínez Group had our Halloween Party today, following the last one in 2019! Thanks Elisa, Alex, and Dean for organizing the party, and thanks everyone for the participation with fantastic costumes! 






  • Welcome Laura who joins the group as a graduate student! 
  • Welcome Antonia who joins the group as a visiting student! 


  • The American Conference on Theoretical Chemistry (ACTC) 2022 took place in July 25-28 in Palisades Tahoe, California. It is the 50th anniversary of ACTC. As the local host, the Martínez Group held a successful conference and everyone had a great time in Tahoe! 
  • We have a new article published in JACS, Steric and electronic origins of fluorescence in GFP and GFP-like proteins. Congrats to our group alumni Chey and Nanna! 
  • Prof. Zikri Altun and Prof. Charles Diesendruck join the group as visiting scholars. Welcome Zikri and Charles!  
  • Dr. Diptarka Hait, Dr. Martin Stoehr, and Dr. Pablo Unzueta join the group as postdoctoral scholars. Welcome Dip, Martin, and Pablo!
  • Welcome Andreas who joins the group as a visiting student!