Cheol Ho Choi’s Group
@ChChoi
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https://t.co/UWSmbhQpDy // https://t.co/GlqRjzUX5c // developer of #MRSF-TDDFT, doing #compchem
대한민국
Joined November 2009
Beer lessons from an Belgian expert! Denis, Elise, Nicloas, Habilitated Miquel and me.
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Excited to share the latest JCTC cover featuring our new open-source quantum software with MRSF-TDDFT! Designed for the community to explore and innovate. https://t.co/OJfSHl16n6
@ACS4Authors #MyACSCover #MRSFTDDFT
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🚀 OpenQP's main article is out! Next-gen quantum software featuring MRSF-TDDFT. Read: https://t.co/8sZGkzOH40 & https://t.co/NAJwwHDtwP. Get the code:
pubs.acs.org
The OpenQP (Open Quantum Platform) is a new open-source quantum chemistry library developed to tackle sustainability and interoperability challenges in the field of computational chemistry. OpenQP...
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MRSF-TDDFT Update! Announcing unrestricted flexibility to the innovative MRSF-TDDFT! A breakthrough for more accurate excited-state simulations continues! #OpenQP @CHChoi @constlik
https://t.co/84kYUxqrWf
pubs.acs.org
An unrestricted version of Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (UMRSF-TDDFT) was developed based on unrestricted Kohn–Sham orbitals (UKS) with a new molecular orbital...
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Uncovering the contrasting effects of temperature on firefly chromophore quantum yield! A delicate balance between formation and radiationless decay offers new insights for optimizing control. #QuantumYield #Chemiluminescence #FireflyScience @CHChoi
https://t.co/HGa5b9CDDf
pubs.acs.org
Multistate nonadiabatic dynamics combined with Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) were performed to investigate the chemoexcitation dynamics of firefly...
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We're hiring post-docs passionate about excited state dynamics simulations! 🚀 Focus: applying our cutting-edge MRSF-TDDFT quantum chemical theory. Check out our latest perspective ( https://t.co/NAJwwHDtwP) & new quantum chem software ( https://t.co/JfDwRrwbYI).
#PostDoc
pubs.acs.org
The density functional theory (DFT) and linear response (LR) time-dependent (TD)-DFT are of the utmost importance for routine computations. However, the single reference formulation of DFT suffers in...
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We're hiring post-docs passionate about excited state dynamics simulations! 🚀 Focus: applying our cutting-edge MRSF-TDDFT quantum chemical theory. Check out our latest perspective ( https://t.co/NAJwwHDtwP) & new quantum chem software ( https://t.co/JfDwRrwbYI).
#PostDoc
pubs.acs.org
The density functional theory (DFT) and linear response (LR) time-dependent (TD)-DFT are of the utmost importance for routine computations. However, the single reference formulation of DFT suffers in...
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Don’t miss the corresponding manuscript of OpenQP: https://t.co/o13kIvVsM4.
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Introducing OpenQP ( https://t.co/JfDwRrwbYI): a pioneering platform for quantum chemical collaboration, featuring the innovative MRSF-TDDFT. A huge thank you to Vladimir, @constlik, Igor, @Jingbai_Li, and everyone else for their tremendous efforts!
github.com
The main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU. - Open-Quantum-Platform/openqp
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New XC Functionals for MRSF-TDDFT targeting IP and VEE. Congrats to Woojin and other guys! https://t.co/FLRMGV1BIO
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A new innovative DFT theory (MRSF-TDDFT) vastly expands the application scope with high accuracy! Good news for quantum computational studies. @CHChoi @Seunghoon_Lee_ @WoojinPark1995 @constlik
https://t.co/P3o38F2vdg
pubs.acs.org
The density functional theory (DFT) and linear response (LR) time-dependent (TD)-DFT are of the utmost importance for routine computations. However, the single reference formulation of DFT suffers in...
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Meet Gil, a student in Prof. Leeor Kronik’s lab. In her Weizmann life, she does computational research, but is now in full-time reserve duty. Gil we thank you and are proud of you. Keep smiling and be safe, we’re waiting for your return! 🇮🇱
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I'm recruiting! Come do a #PhD in #chemistry (#theoreticalchem/#compchem focus) @nyushanghai! Info session Nov 6th 10 am China time (Nov 5th 10 pm EST). RSVP: https://t.co/qRI8EzVsh6
#phdposition #phdstudies #phdfellowship #doctoralstudies
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New XC functionals have been developed for MRSF-TDDFT! https://t.co/GiYUxaXYpp Especially DTCAM-AEE seems to resolve many issues including CT states. @HuixRotllant @Seunghoon_Lee_
@WoojinPark1995
@constlik @JCIM_JCTC @jctc_papers
pubs.acs.org
It is demonstrated that significant accuracy improvements in MRSF-TDDFT can be achieved by introducing two different exchange–correlation (XC) functionals for the reference Kohn–Sham DFT and the...
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A short interview of Perspective on our MRSF-TDDFT appears in ACS channel, which will be potentially helpful for all quantum theory users. https://t.co/PztO2Z5nN5 It is related with our previous tweet of
Years of efforts paid off! Recent perspective of JPC Letters highlights our MRSF-TDDFT as a groundbreaking technology for quantum mechanical studies. https://t.co/uOwjGwbiKd
@Seunghoon_Lee_
@WoojinPark1995
@constlik @JPhysChem
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Reminder: deadline for abstracts for our March 2024 @APSphysics #ML for Electronic Structure, Properties and Dynamics of Molecules and Materials symposium is October 20th. Submissions from students, postdocs, and early career scientists all welcome! Link:
summit.aps.org
Join 14,000+ physicists at the 2026 APS Global Physics Summit in Denver and online to share research, explore science, and connect globally.
Call for abstracts for our upcoming symposium on #ML in electronic structure and dynamics at @APSphysics March meeting! Invited speakers: @MicheleCeriotti, @PavloDral , @RGBLabMIT, @KulikGroup, @ProfvLilienfeld, Christine Isborn, and Klaus-Robert Müller https://t.co/pxsMXk2q5R
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Years of efforts paid off! Recent perspective of JPC Letters highlights our MRSF-TDDFT as a groundbreaking technology for quantum mechanical studies. https://t.co/uOwjGwbiKd
@Seunghoon_Lee_
@WoojinPark1995
@constlik @JPhysChem
pubs.acs.org
The density functional theory (DFT) and linear response (LR) time-dependent (TD)-DFT are of the utmost importance for routine computations. However, the single reference formulation of DFT suffers in...
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