NSF Center for Computer Assisted Synthesis @NSF_CCAS
Using quantitative, data-driven approaches to make synthetic chemistry more predictable. Phase II CCI #NSFFunded ccas.nd.edu Notre Dame Joined July 2019-
Tweets305
-
Followers1K
-
Following63
-
Likes59
🌟 Exciting News! 🌟 Get ready for an insightful conversation with Wei Wang and Nitesh Chawla (@nvchawla) as they dive deep into the significance of #collaboration and #ethics in #Compchem. Stay tuned for the full video dropping next week! #DataChemistry youtube.com/watch?v=NbH4dV…
We love the see the C-CAS team together! Warming up for our 2024 Site Visit in LA😎
We love the see the C-CAS team together! Warming up for our 2024 Site Visit in LA😎
🌟 Curious about the future of chemistry and CCAS? Join Prof. Andre Isaacs (@drdre4000) as he delves into the work of CCAS and #ML in #Chemistry! The full video on our YouTube channel and tell us: How do you envision #AI shaping the future of #science? youtube.com/watch?v=IpuYqz…
Big thank you to ACS for an amazing spring conference! We had a blast with our C-CAS members. Here's a glimpse of the memories we've made. Until ACS fall, keep the chemistry alive! 💫 #ACSSpring2024 #chemistry #chemistrycommunity #compchem
🚨 Correction Alert! 🚨 Please find the corrected presentation schedule for the NSF Center for Computer-Assisted Synthesis below. #NSF #Chemistry #PresentationSchedule #ACSSpring2024 #ACSSpring
🔬 Get ready to unlock the secrets of CCAS and Machine Learning in chemistry with Dr. Andre Isaacs @drdre4000 Watch our teaser video, with the full video coming next week. Stay tuned for awesome insights! #MachineLearning #Chemistry #Innovation youtu.be/H9zyTa5DPTY
🚀 Exciting Opportunity Alert! 🌟 UCLA is seeking the inaugural director for the HTE facility! With two new Unchained Junior Robots & analytical equipment arriving this May, it's an incredible chance to lead innovation! Apply now: hr.mycareer.ucla.edu/applicants/jsp… #JobOpening #UCLA
📢 Exciting news! 📷 Our latest paper from the Doyle group, is now out in @Nature! 📷📷 Dive into "Identifying general reaction conditions by bandit optimization" and explore advancements in chemical synthesis! Read it here: nature.com/articles/s4158…… #Chemistry #Innovation #NSF
🔬 Dive into the future of chemistry with Connor Coley (@cwcoley) & Xiangliang Zhang! From AI to data chemistry, discuss cutting-edge advancements. Watch here: youtube.com/watch?v=tV4yZY… #Chemistry #AI #Science #Compchem #NSF #Technology #Innovation #ChemistryTwitter #ScienceChat
Dive into the future of chemistry with chemistry and Computer Science! 🧪🌦️ Join @cwcoley & Xiangliang Zhang in this intriguing teaser discussion. Stay tuned for the full video next week! #Chemistry #Science #DataChemistry #Compchem #Research #AI Link: youtu.be/Gix26F00ios?fe…
🌟 Exciting Opportunity Alert! 🌟 Join Sanofi as a Postdoctoral Fellow in Computational Modeling and Machine Learning! If you're passionate about Implementing and optimizing active learning algorithms, this role is for you. Apply now: sanofi.wd3.myworkdayjobs.com/SanofiCareers/… #Postdoc #Compchem
🚨 Attention aspiring researchers! 🚨 Today is the LAST day to apply for our Summer Undergraduate Research Programs 🔬 Don't miss out on this opportunity to dive into cutting-edge projects and gain hands-on experience. 🌐ccas.nd.edu/outreach #Applynow #ResearchOpportunity
Unlock your potential in the lab and beyond! Hear from Mary about the invaluable skills and advice she gained from the DATA SURF. Don’t miss your opportunity, apply today! Deadline Feb. 1st #UndergraduateResearch #CompChem #DataScience #CareerGrowth 🚀
We stan this group...
Attention undergrad students! The deadline for the Summer #UndergraduateResearch Fellowships offered by the NSF Center for Computer-Assisted Synthesis is fast approaching. Apply now to get a chance to perform state-of-the-art research this summer. Deadline: February 1, 2024. #NSF
Check out @gabepgomes on the @NSF Discovery Files podcast. You can listen to the show currently on Apple Podcasts, Spotify, Google Podcasts, and Amazon among many other podcast providers! #NSFFunded #ScienceHappensHere #EngineeringHappensHere #NSFStories #WhereDiscoveriesBegin
Congratulations to @nvchawla on his recent election to @RealAAAI for his outstanding contributions to research on #AI. Read more here: research.nd.edu/news-and-event…
🎥 Check out this Reel featuring 3 awesome faculty members from our Data Chemist Network. @drdre4000, @DrRubidium , and @JKisunzu are leading experts in their fields and paving the way for the next generation of #Chemists! Cannot wait for what 2024 holds! #Chemistry #Science
Excited to share an article by Jason Stoughton (NSF) highlighting @gpggrp 's latest publication! Check it out here: new.nsf.gov/science-matter… #research #science #innovation #AI #compchem #coscientist #NSF #chemistry
J. Am. Chem. Soc. @J_A_C_S
159K Followers 9K Following Research, news, and information from the Journal of the American Chemical Society.
Jan Jensen @janhjensen
9K Followers 655 Following Computational chemist at the University of Copenhagen. PChem Editor-in-Chief @PeerJChemistry. #compchem
⌬Nessa Carson @SuperScienceGrl
17K Followers 3K Following Digital chemist | "Aggressively sciency'' | Buchwald-Hartwig = best reaction | Making lab science faster and better | She/her
Connor W. Coley @cwcoley
6K Followers 1K Following Assistant Professor @MITChemE & @MITEECS | ChE, Chem, AI/ML, etc. for accelerating molecular synthesis and discovery | https://t.co/cAcVl8CjqR | he/him
Sarpong Group @SarpongGroup
9K Followers 468 Following Student-run twitter account for the Sarpong group at UC-Berkeley.
Olexandr Isayev 🇺�.. @olexandr
8K Followers 3K Following #CompChem Prof @CMU_Chem. Connecting chemical sciences with AI & #MachineLearning. #tarheels fan. Care:#design, #photography #Ukraine #cats🐈 Rants are mine
André K Isaacs @drdre4000
24K Followers 1K Following Associate Professor of Chemistry| College of the Holy Cross| Organic Methods| Tennis and Karaoke lover 🏳️🌈 (he/him)
Sigman Lab @Sigman_Lab
11K Followers 209 Following Asymmetric catalysis. Organic synthesis. Organometallic chemistry. Data chemistry. In operation at U of Utah since 1999.
Robert Paton @bobbypaton
3K Followers 269 Following Robert Paton | Fixman Ladanyi Professor @csu_chemistry | #compchem | https://t.co/7IGAPM4gI6 | co-chair compchem GRC 2024 | @nsf_ccas | Go Nuggets | 🇬🇧🇺🇸
Glorius Group @GloriusGroup
15K Followers 3K Following Team of highly motivated 😍 young chemists👩🔬 trying to make a difference in CATALYSIS ⚗🐱 (and beyond): a green key technology of the future.🌍
Philippe Schwaller (h.. @pschwllr
5K Followers 3K Following Tenure-Track Assistant Professor of Digital Chemistry at @EPFL with @SchwallerGroup | @NCCR_Catalysis | prev @IBMResearch @forRXN | ML/AI-accelerated Chemistry
Tehshik Yoon @TehshikYoon
14K Followers 764 Following Professor of Chemistry, University of Wisconsin-Madison. Associate Editor, ACS Catalysis. Nerd-in-Chief of @uwyoongroup. 🇺🇸🇰🇷🇨🇦🏳️🌈 (he/him/his)
Shivaani S. Gandhi @shivaani1995
292 Followers 215 Following PhD candidate @PrincetonChem in the Doyle Lab @UCLAchem | BS '17 @UCB_Chemistry | she/her/hers
Steven A. Lopez @StevenLopez_neu
3K Followers 2K Following Associate professor of Chemistry at Northeastern University. Computational photochemistry @nodecrashers| ADSE co-founder @adse_national. He/his
Jason Hein @procrastiprof
2K Followers 643 Following Associate Professor @UBCChem/ @TelescopeInn CTO/ Equipment Macgyver - https://t.co/MFq5WiR42L
Tejas K. Shah @T_K_Shah
1K Followers 1K Following HTE & Chemistry Automation Leader @Corteva 🌱| @RutgersU & @UCLA Alum | Jersey-born & bred | Fan of HTE cocktails, robots, & data🍸👨🏾💻 | opinions are my own
Dirk H. Trauner @DirkTrauner
16K Followers 12K Following Penn Integrates Knowledge Professor, Natural Product Aficionado, Photopharmacologist, Fox Terrierist, and Unfulfilled Architect. #firstgen
Alan Aspuru-Guzik @A_Aspuru_Guzik
20K Followers 6K Following [email protected] Prof. @UofT @VectorInst @CIFAR_News AI Chair & Fellow. C150 Chair. @ZapataComputing @KebotixInc @acceleration_c @digital_discovery
Fernanda Duarte @fjduarteg
6K Followers 2K Following Computational Chemist. Assoc. Prof. @OxfordChemistry. Proud member of @duarte_group. Organic Chemistry Fellow at @HertfordCollege
Waser Group @LcsoLab
12K Followers 6K Following Driven by Passion for Chemistry Organic Chemistry Lab @EPFL_CHEM_Tweet @EPFL_en @NCCR_Catalysis @NCCR_ChemBio
Yogesh Shandilya @yogi_chemie
56 Followers 754 Following Yogi-Chemie 🏳️🌈, ϕκϕ Incoming Graduate Student @TAMUChemistry Synthetic f-block Chemistry MS @ Nachtigall Lab @uahuntsville
Olaf Wiest @OlafWiest88197
0 Followers 3 Following
Abhijeet Singh Bhadau.. @asbhd91
6 Followers 217 Following
Cynthia @cynthia_gagne02
7 Followers 46 Following
Yang Cao @caoyangoncemore
119 Followers 358 Following
Pankaj Nagar @PANKAb1P
45 Followers 298 Following
Xin @Xin116024
51 Followers 887 Following
Yuying Wang @Yuying_Wang0813
54 Followers 230 Following Graduate student @UTAustin Chemistry | Organic chemist by training | Sessler Group
Upal Pramanick @U85694Upal
66 Followers 973 Following 3rd Year BS-MS Student at Indian Institute of Science Education and Research (IISER), Pune, like talking with molecules.
Dayle @scubatikal
4 Followers 162 Following
le-schlo @le_schlo
2 Followers 10 Following
Xiangyu Zhang_351 @JackZhang351
33 Followers 48 Following #compchem | Ph.D. student at the university of Pittsburgh | @Pitt_chemistry
YMklgh @mjihahMoh
33 Followers 115 Following
Ricardo Grau-Crespo @rgraucrespo
3K Followers 3K Following Associate Professor of Materials Theory @UniRdg_Chem, UK. Energy Materials, Disorder in Solids, Machine Learning.
Benjamin Patrick Brow.. @bpbrown17
85 Followers 103 Following Assistant Professor at Vanderbilt University. Highly interested in translational research at the atomic level. I mostly do simulation stuff.
Mihir Surve @MihirSurve7
7 Followers 21 Following
Pablo Andres Unzueta @pablo_unz
181 Followers 572 Following Ph.D. in #compchem. Interested in all things machine learning for chemistry. #NSF MPS Ascend Postdoc Fellow @stanford @mtzlab
Adam Koza @adammk7991
48 Followers 443 Following PhD student /ultracold molecules @UniWarszawski @QuantMol
Nikhil Reddy @nikhil_reddy_cs
257 Followers 5K Following Ph.D student at the University of Queensland IIT Delhi Research Academy | Research areas: Data science, Computer vision
Ramith Hettiarachchi @ramith__
894 Followers 4K Following Visiting Scientist @MIT, Post-Bac Fellow @Harvard Interested in ML for science while striving for trustworthiness Ex: @ENTC_UOM 🇱🇰 @CSIRO 🇦🇺 @RotaractMora
Filippo Romiti @filippo_romiti
1K Followers 1K Following Assistant Professor at @UTDallasChemBio and @CPRITTexas Scholar. Postdoc with @HoveydaLab and PhD with Steve Clark @UofGChem. Chemistry, music and sports lover.
Tenta Nakamura @tentan33
49 Followers 139 Following Ph.D. student/Tokushima univ. Pharmacy. Organic chemistry, Total synthesis, Fluorescent molecules,
Nana Quadwo @n_quadwo
3 Followers 111 Following
Kathleen @phillipskathlee
413 Followers 3K Following
Rajan Kumar Kharwar @rajanKumarkhar8
493 Followers 5K Following Int. Ph.D. at Indian Institute of Science, Bangalore
Priya @PriyaSa24755283
20 Followers 691 Following
Bibek Prajapati @BvekPraza
121 Followers 339 Following
Ubadah @TanveerUbadah
173 Followers 2K Following Studying Biomedical Engineering @Unibo, Alumni @NEDUETOfficial
Lewis Nguyen @LewisTNguyen
113 Followers 446 Following Chemistry & Mathematics undergrad @DenisonU | HAN ➡️ CMH | not actively here, find me on Instagram at scl.lewis.mcwrd
Trey Bates @TreyBates123122
100 Followers 3K Following
tt18721367089 @ssy1357924680
58 Followers 278 Following
LarraineKirshman @LarraineKi91754
103 Followers 2K Following
zzm @ZhiminZhan29420
27 Followers 96 Following
Xiaobao (Bruce) HUANG @BruceHU90978862
7 Followers 32 Following PhD student in Computer Science and Engineering @ND_CSE B.S in Chemistry and Computer Science @UWMadisonChem @UWMadison
Sid Kumar @K16Sid
8 Followers 218 Following
Adedapo Adeyinka @AdedapoAdeyin11
114 Followers 651 Following
Aidan Slattery @AidanSlattery3
396 Followers 1K Following PhD Candidate @NoelGroupUvA • Self Driving Labs | Chemistry | ML | Automation | Sport • 🏠🇮🇪 •📍🇳🇱
Derek Ahneman @derekahneman
30 Followers 262 Following Interested in the chemistry/ML interface. Opinions my own.
Suresh Swain @Sureshswain3737
52 Followers 663 Following Studying https://t.co/h998pmV6D1 Chemistry at Banaras Hindu University @ BHUite'23. https://t.co/vUpYwZhjoK Chemistry @ Utkal University'21
Salauddin Tapu @salauddin_tapu
42 Followers 581 Following Junior Machine Learning Engineer at Anwar Enterprise Systems Limited
Jan Jensen @janhjensen
9K Followers 655 Following Computational chemist at the University of Copenhagen. PChem Editor-in-Chief @PeerJChemistry. #compchem
Connor W. Coley @cwcoley
6K Followers 1K Following Assistant Professor @MITChemE & @MITEECS | ChE, Chem, AI/ML, etc. for accelerating molecular synthesis and discovery | https://t.co/cAcVl8CjqR | he/him
Sarpong Group @SarpongGroup
9K Followers 468 Following Student-run twitter account for the Sarpong group at UC-Berkeley.
Olexandr Isayev 🇺�.. @olexandr
8K Followers 3K Following #CompChem Prof @CMU_Chem. Connecting chemical sciences with AI & #MachineLearning. #tarheels fan. Care:#design, #photography #Ukraine #cats🐈 Rants are mine
Sigman Lab @Sigman_Lab
11K Followers 209 Following Asymmetric catalysis. Organic synthesis. Organometallic chemistry. Data chemistry. In operation at U of Utah since 1999.
Robert Paton @bobbypaton
3K Followers 269 Following Robert Paton | Fixman Ladanyi Professor @csu_chemistry | #compchem | https://t.co/7IGAPM4gI6 | co-chair compchem GRC 2024 | @nsf_ccas | Go Nuggets | 🇬🇧🇺🇸
Tehshik Yoon @TehshikYoon
14K Followers 764 Following Professor of Chemistry, University of Wisconsin-Madison. Associate Editor, ACS Catalysis. Nerd-in-Chief of @uwyoongroup. 🇺🇸🇰🇷🇨🇦🏳️🌈 (he/him/his)
Steven A. Lopez @StevenLopez_neu
3K Followers 2K Following Associate professor of Chemistry at Northeastern University. Computational photochemistry @nodecrashers| ADSE co-founder @adse_national. He/his
Organic Process Resea.. @OPRD_ACS
7K Followers 95 Following A communication tool between industrial, academic, and research institute scientists and engineers to promote chemistry relevant to advancing new applications.
Alan Aspuru-Guzik @A_Aspuru_Guzik
20K Followers 6K Following [email protected] Prof. @UofT @VectorInst @CIFAR_News AI Chair & Fellow. C150 Chair. @ZapataComputing @KebotixInc @acceleration_c @digital_discovery
Dan Singleton 🏳️.. @dasingleton
9K Followers 759 Following Organic Chemistry Prof, Texas A&M, Isotope Effects, Dynamic Effects, AC Cope Scholar, TAMU AFS Awards In Teaching and Research, Well Fargo Honors Mentor of Year
Ben Blaiszik @BenBlaiszik
4K Followers 3K Following Group Leader - AI and data infrastructure for science at @uchicago/@argonne/@globus. materials, chemistry, physics. Opinions are my own. 🤖🔬
NOBCChE Official @NOBCChE
3K Followers 478 Following Official Twitter of NOBCChE - committed to the discovery, transmittal, and application of knowledge in the fields of science and engineering.
ACS COMP @ACSCOMP
4K Followers 650 Following Computers in Chemistry Division of the American Chemical Society #compchem
NSF Center for the Me.. @NSF_CMCC
313 Followers 61 Following Supported by the NSF Centers for Chemical Innovation program, the CMCC focuses on developing force driven chemistry to enable sustainable synthesis.
Marion Emmert (she/he.. @EmmertLab
2K Followers 2K Following catalysis/physical organic/HTE chemist @ #merckchemistry TECh group, DE&I enthusiast, cat & arts lover, former professor @[email protected]
National Organic Chem.. @2023NOSND
22 Followers 1 Following This is the official twitter page of the National Organic Chemistry Symposium (NOS) 2023 hosted at the University of Notre Dame. Also, follow #2023NOSND
BlackInChem @BlackInChem
13K Followers 708 Following Amplifying Black voices and celebrating Black excellence in chemistry #BlackInChem | Contact us at [email protected]
Molecule Maker Lab In.. @Molecule_Maker
294 Followers 99 Following Developing new #AI and #chemistry to radically accelerate and democratize molecule synthesis and functional materials discovery. Supported by @NSF.
Center for Synthetic .. @NSF_CSOE
2K Followers 306 Following The NSF-funded Center for Synthetic Organic Electrochemistry aims to enable the adoption of electrochemical methods for organic synthesis.
NSF Center for Sustai.. @UMN_CSP
2K Followers 69 Following A NSF Center for Chemical Innovation, based at the University of Minnesota, whose mission is to transform how plastics are made, unmade, and remade.
Brandon Wright @B_randonwright
380 Followers 573 Following Chemistry PhD with @SarpongGroup at UC Berkeley ‘23 | Harvard ‘18 | Bay Area
Nicholas Ball @ballnchemist
1K Followers 631 Following Synthetic chemist and Associate Professor of Chemistry at Pomona College @pomonacollege. Son of TN, fan of fluorine, Black, and QPOC 🌈. My opinions are my own.
Patrick Willoughby @pat_willoughby
111 Followers 459 Following
Center for Integrated.. @NSF_CIC
652 Followers 392 Following A National Science Foundation Center for Chemical Innovation. Combining catalysts to make cool things since 2020!
Gerit Brandenburg @JGBrandenburg
2K Followers 961 Following 🎬 Director for #Digital #Chemistry @merckgroup 🚀 Founder and CEO @quastify 🏐 Volleyball coach 🏳️🌈 he/him 🇪🇺
Jay Stevens @jasonmstevens
322 Followers 496 Following Dad, Scientist at @BMSNews, Gamer, Triathlete, Sustainability Advocate
ACS Green Chemistry I.. @ACSGCI
32K Followers 561 Following The ACS GCI is a world leader in advocating the implementation of sustainable and green chemistry and engineering into the global chemical enterprise.
Black in AI @black_in_ai
45K Followers 324 Following A place for sharing ideas, fostering collaborations and discussing initiatives to increase the presence of Black people in the field of Artificial Intelligence.
Minteer Lab @MinteerLab
4K Followers 916 Following Electrochemistry at Missouri University of Science and Technology
Jeff Welser @JeffWelser
616 Followers 49 Following Combining science, technology, and data to augment human capability. @IBMResearch Lab Director in Silicon Valley
Joshua Schrier @JoshuaSchrier
1K Followers 736 Following Bepler Professor of #Chemistry @FordhamNYC / @fordhamchem. Associate Editor @Digital_RSC. Opinions my own. On #sabbatical 2023-2024.
kaid harper @KaidHarper
1K Followers 101 Following Process Chemist at Abbvie since 2015. Father of five. Opinions are my own.
Sarah Reisman @sarah_reisman
18K Followers 871 Following Bren Professor of Chemistry @Caltech| AE at JACS|Editorial Board @OrgSynth|Organic chemist and mom|Views are my own|she/her
Thomas Miller @tfmiller3
4K Followers 687 Following Co-founder and CEO, @iambic_ai. Formerly: Professor of Chemistry, @Caltech. Views my own.
THE DARKO GROUP @darko_utk
134 Followers 127 Following
Jessica Kisunzu, Ph.D.. @JKisunzu
696 Followers 426 Following Organic chemist 👩🏾🔬 ; Assistant Prof. @ColoradoCollege 👩🏾🏫 ; #BlackInChem; Musician - single "Antarctica" 🇦🇶; Aspiring polyglot; (she/her)
Raychelle Burks @DrRubidium
39K Followers 4K Following #Chemistry Blackademic in the Ivory Tower. #BLACKandSTEM. She/they. Sarcastic & silly. Tweets = personal ≠ professional. In @CurlyHairMafia.
American Chemical Soc.. @AmerChemSociety
217K Followers 1K Following The American Chemical Society is one of the world’s largest scientific societies and a leading source of authoritative scientific info.
Sreenithya Avadakkam @SreenithyaA
39 Followers 129 Following Postdoctoral Researcher at Delft University of Technology she/her
Dan T Major @DanTMajor1
403 Followers 384 Following Major Lab for Computational Chemistry - Biological Chemistry - Material Science. Chemistry Department, Bar-Ilan University.
DearLiliG @DearLiliG
231 Followers 515 Following PhD candidate at CSU. Loving the two worlds of Organic and Computational Chemistry. Paton group | @NSF_CCAS | Hello you!
Heidi Klem @HeidiKlem
955 Followers 2K Following NRC postdoc @NIST. @acscomp councilor. #compchem #biocatalysis she/her
Thomas Mustard @chem_beaver
392 Followers 616 Following Father, husband, maker, DIYer, and computational chemist. Views my own.
Martin Eastgate @EastgateMartin
2K Followers 1K Following A Process Chemist @ Bristol-Myers Squibb with a passion for Innovation, Science, Collaboration, People and Patients
CCHF @NSFCCHF
2K Followers 270 Following The NSF Center for Selective C–H Functionalization Freeing Synthetic Chemistry from The Confines of Functional Groups An alum of the NSF CCI @BeyondCCHF
Enamine Ltd 🇺🇦 @EnamineLtd
5K Followers 2K Following Supporting #pharma, #biotech companies and #academic institutions with innovative #chemistry since 1991 ⚗️👨🏻🔬🧑🏻🔬
ACS Rocky Mountain So.. @ACS_RMSW_2019
61 Followers 145 Following American Chemical Society Rocky Mountain and Southwest Regional Meeting
ACS CWD @acs_cwd
162 Followers 47 Following ACS Chemists With Disabilities Committee promotes professional opportunities in the chemical sciences for persons with disabilities.
Marco Ferreira ⌬ + .. @FerreiraMarcoAB
257 Followers 932 Following Chemistry professor at Federal University of São Carlos - Brazil. Organic chemist in the digital age.ARE YOU READY?!! Flash Mob is happening between 1:15 - 1:30pm Weds (tomorrow) in the Moscone South Lobby! Come watch and join in on the last chorus if you feel inspired.
Baby’s first ACS meeting #ACSFall2023
At #NOS2023ND, Professor Connor Coley of @MIT will discuss his group’s efforts to improve the utility of computer-assistance for chemical discovery. @cwcoley @NSF_CCAS @ACSorganic
Fantastic #CINF and @ACSorganic symposium on #MachineLearning for organic chemistry at #ACSSpring2023 Organized by @gabepgomes @cwcoley both @NSF_CCAS members. Great speakers lineup. Please check it out.
Apply for summer research with @NSF_CCAS
The C-CAS Summer Research Fellowship application deadline is tomorrow! Are you ready?!?! Get those apps in! If you have any questions, we are happy to respond here or via email at [email protected]. Link for more details: ccas.nd.edu/outreach/
Was sifting through old family pictures/docs and found my grandmother's 1943 paper on "Health and Chemistry", discussing the discovery of sulfa drugs, and at the end, penicillin. I remember her wanting to talk about sulfa drugs... I didn't know she'd written a paper on them!
After a lot of work, a new preprint from @folmsbeedak, @david_koes and myself "Systematic Comparison of Experimental Crystallographic Geometries and Gas-Phase Computed Conformers for Torsion Preferences" #compchem 🧵 doi.org/10.26434/chemr…
We have a faculty search! They didn’t quite get this right…we have an open search for @CaltechCCE, looking at candidates in all areas of chemistry, chemical engineering and biochemistry. @cenmag you didn’t get your tweet right…
#ChemJobs alert: The Department of Chemistry at @Caltech seeks to fill a faculty position in the broad area of theoretical chemistry, biochemistry, and chemical engineering. Apply today at: fal.cn/3sGLU #ad
Out for SLC for @NSF_CCAS planning meeting.
Happy to share my new paper (arxiv.org/abs/2210.04893) with @cwcoley that introduces a new equivariant shape-conditioned generative model, SQUID, for generating chemically diverse 3D molecules in poses that fit a target shape. (1/9)
A new paper just published in @JCIM_JCTC! Auto3D: Automatic Generation of the Low-Energy 3D Structures with ANI Neural Network Potentials. Collaboration with @adrian_roitberg #compchem #MachineLearning pubs.acs.org/doi/full/10.10…
Meet EDBO+. The power of multi-objective Bayesian optimization for everyone via free web based application. No jupyter notebook required. Grateful to be able to collaborate with Prof's Doyle and Adams, and @jagarridotorres on this work! #BMSChemistry doi.org/10.26434/chemr…
The Center for Computer-Assisted Synthesis is 1 of only 7 Phase II @NSF Centers for Chemical Innovation, and the 1st in IN. The NSF awarded C-CAS $20 million over five years for the initiative @NSF_CCAS @UCLAengineering science.nd.edu/news/nsf-cente…
In @ScienceMagazine this week, Midori Akiyama and coworkers make perfluorocubane and embed an electron inside it! science.org/doi/10.1126/sc…
I'm excited to be part of the @NSF_CCAS crew & the #DataChemistsNetwork
NSF Center for Computer Assisted Synthesis (C-CAS) expands to Phase II ccas.nd.edu/news-events/ne…
Welcome to the newest #NSFFunded Phase II CCI @NSF_CCAS !! Congratulations to the team!
The @NSF_CCAS is excited to announce its expansion to phase II! Thanks to continuing support from@NSF, CCAS and the #datachemistsnetwork will continue to unite data scientists, computational & synthetic chemists to change the field of synthetic chemistry. #datachem #nsffunded
@NSF_CCAS @gabepgomes @NotreDame This sounds like a fantastic effort, congrats all! I’m sure there are connections to be made with our automated labs work @argonne and @UChicago.
Trends for United States
You might like
