News and updates from the research group of @tfmiller3, Caltech. Student-run account.
Pasadena, CA
Joined October 2017
- Tweets318
- Following304
- Followers845
- Likes625
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
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/acs…
(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).
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…. We reach 1kcal/mol accuracy with 70 structures & apply MOB-ML to various challenging systems.
Miller Group Caltech retweeted
Today we join together in mourning the death of Nobel Laureate Bob Grubbs.
"Bob was an inspiration to Caltech colleagues and to scientists around the world. ... We will keenly miss his wisdom and vision," says Caltech president Thomas F. Rosenbaum.
caltech.edu/about/news/calte…
Miller Group Caltech retweeted
Great to see @EntosAI featured in @NVIDIAGTC Jensen Huang's keynote. @EntosAI is revolutionizing #drugdiscovery by using #AI #Algorithm #Orbnet we developed at @Caltech @tfmiller3 @MillerCaltech @FredManby
Entos is transforming drug discovery with NVIDIA AI-powered molecular simulation. Entos's OrbNet requires 30X less data to train a model for molecular drug discovery with quantum accuracy and 100X fewer experiments to find promising drug compounds. #GTC21 nvda.ws/3bNPEyu
Miller Group Caltech retweeted
Do you have questions about applying to our chemical engineering program? Join us on Nov. 9 @ 4pm PST for a program overview, meet our admissions committee and talk to current grad students.
Register: bit.ly/3CESykR
Submit a question: bit.ly/2ZR8gLN
Miller Group Caltech retweeted
📚 Chemistry instructors, check out our computational labs for Envision - entos.ai/envision.
This lab explores Lewis structures and the VSEPR model using 3D structures.
Full computational lab here 👇
docs.google.com/document/d/1…
#ChemTwitter #EntosEnvision
Miller Group Caltech retweeted
On November 3rd, the Chemistry Graduate Studies Committee is hosting a webinar on applying to chemistry graduate programs. Current Caltech grad students will be there to answer questions!
#chemistry #GraduateSchool
Miller Group Caltech retweeted
Reminder that the deadline to apply to become our colleague @CaltechCCE Chemical Engineering is two weeks away! We hope to receive applications from women, minorities, individuals with disabilities and from any other underrepresented groups. Reach out if you have any questions!
The Division of Chemistry and Chemical Engineering at
@Caltech invites applications for a tenure-track, #AssistantProfessor faculty position in #ChemicalEngineering. Anyone interested is encouraged to apply!
applications.caltech.edu/job…
Miller Group Caltech retweeted
Seminar Day will be held Oct. 21! Join us for a day-long celebration of the exceptional research occurring throughout the division. Grad students & postdocs will present short talks from 9AM–4PM, followed by a poster session at 4:30 PM.
Learn more here: bit.ly/3p7KMMr
Miller Group Caltech retweeted
Incredible to see Envision featured in @cenmag! cen.acs.org/education/Chemis…
#ChemTwitter #EntosEnvision
Miller Group Caltech retweeted
We are happy to announce that for the second year, Women in Chemistry will be hosting our scholarship program for PUSD high schoolers. Last year we had 3 amazing participants who created 10-minute talks on topics related to sustainability, and each received money to go towards…
Miller Group Caltech retweeted
Hello #ChemTwitter! We are eager to spread the word and to share this free resource for chemistry education, made possible by support from @SchmidtFutures. Pls RT!
If you are an educator looking for new chemistry tools, Envision is cloud-based and free for academic use! We are happy to do 1:1 onboarding to show you how Envision can enhance your courses entos.ai/envision
Sign up here👇
airtable.com/shrMz1pDhNaWL30…
#CompChem #EntosEnvision
Miller Group Caltech retweeted
On August 26, the Chemistry Graduate Student Council is hosting a webinar on applying to chemistry graduate programs. Current Caltech grad students will be there to answer questions!
Miller Group Caltech retweeted
We have a free collection of teaching materials using Envision — a series of exercises and labs for undergraduate chemical education. Perfect for active classroom engagement! 👩🏫
Access all available activities here: drive.google.com/drive/folde…
#CompChem #EntosEnvision
Miller Group Caltech retweeted
Tremendously exciting news for @entosai to advance our AI-driven drug design platform and open labs/HQ in San Diego.
World-class syndicate including Coatue, @CatalioCapital, @NexusVP, @OrbiMed, and @sequoia.
Entos is hiring in biology, med chem, automation, and AI. Join us!
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We are so thrilled to announce that Entos has closed a $53 million Series A round led by Coatue and @CatalioCapital!
This new funding will advance Entos' breakthrough AI and quantum mechanics-driven drug design platform.
entos.ai/blog/entos-raises-5…
Miller Group Caltech retweeted
⚡️ Since the public release of Envision, we've loved seeing you all experience a new type of interactivity with quantum chemistry.
📽️ Check out the first in a series of videos highlighting the many features available in Envision!
Full video: youtu.be/WUABhpuXEsU
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Miller Group Caltech retweeted
Orbital maps are now available in Envision - display the absolute value of the frontier molecular orbitals mapped on to the electron density surface. These surfaces can inform the likely sites of electrophilic/nucleophilic attack for a given molecule.
#CompChem #EntosEnvision
Miller Group Caltech retweeted
Starting today, Entos Envision is free to use for all academic researchers, educators, and students.
Envision is a cloud-based user interface for real-time quantum chemistry. We hope to empower the chemical intuition of all chemists 🧪
#compchem
envision.entos.ai
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Miller Group Caltech retweeted
Wonderful to have this published in @jcp_papers! Congratulations on a great collaboration!
@CaltechCCE #machinelearning @sebjrlee @TamaraHusch @entosai
Molecular-orbital-based #machinelearning (MOB-ML) analytical gradients available (for force calcs, geometry opts, etc.). Striking accuracy for forces+geometries, using only training from single-point energies.
arxiv.org/abs/2012.08899
#compchem @sebjrlee @TamaraHusch @entosai
