News

03/2023

A new review article is published in JACS, A nitrogen out-of-plane (NOOP) mechanism for imine-based light-driven molecular motors. Congrats to our group alumni Lihong!
03/24: Today, the group celebrated Todd's Birthday with fun activities. Happy Birthday Todd! Also thanks Pablo, Dip, Martin, and Amiel for organizing the party.

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!

We have another new journal article published in JPC, SQMBox: Interfacing a semiempirical integral library to modular ab initio electronic structure enables new semiempirical methods. Congrats to our group alumni Christoph!
We have a new review article published in ARPC, Interactive quantum chemistry enabled by machine learning, graphical processing units, and cloud computing. Congrats to Umberto, Hayley, Stefan, and Colton!
02/08: The group had the farewell party to celebrate Roman and Eirik's time here. Best wishes to them for their future endeavors!
Dr. Amiel Paz joins the group as a postdoctoral scholar. Welcome Amiel!

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!

10/25: The group celebrated the last day of Antonia as a visiting student. She will return to Germany and finish her Ph.D. study. Wish you all the best, Antonia!
We have a new article published in JACS, Enhanced sampling aided design of molecular photoswitches. Congrats to our group alumni Umberto and David!
Grace just published her new article in JCTC, Multinode multi-GPU two-Electron Integrals: Code generation using the regent language. Congrats to Grace!

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!

We have a new article published in Nature Chemistry, A multi-stage single photochrome system for controlled photoswitching responses. Congrats to our group alumni David, Umberto, and Jan!
We have a new article published in JCTC, InteraChem: Exploring Excited States in Virtual Reality with Ab Initio Interactive Molecular Dynamics. Congrats to Henry, Dean, and Alessio, along with our group alumni Stefan, Jason, and Ed!
Welcome Harry who joins the group as a visiting student!

The Martínez Group retreat took place in May 22-25 in Shasta Lake, California. Thanks to our great organization committee: Alex, Ethan, and Dean!
We have a new article published in JCP, Bringing chemical structures to life with augmented reality, machine learning, and quantum chemistry. Congrats to Hayley and our group alumni Umberto!