@ChChoi

https://xitter.cf/t.co/UWSmbhQpDy // https://xitter.cf/t.co/GlqRjzUX5c // developer of #MRSF-TDDFT, doing #compchem

 대한민국
qchem.knu.ac.kr
Joined November 2009
  • Tweets92
  • Following284
  • Followers118
15Media
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. pubs.acs.org/cms/10.1021/jct… @ACS4Authors #MyACSCover #MRSFTDDFT
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🚀 OpenQP's main article is out! Next-gen quantum software featuring MRSF-TDDFT. Read: doi.org/10.1021/acs.jctc.4c0… & doi.org/10.1021/acs.jpclett.…. Get the code: github.com/Open-Quantum-Plat…

OpenQP: A Quantum Chemical Platform Featuring MRSF-TDDFT with an Emphasis on Open-Source Ecosystem

Abstract. The OpenQP (Open Quantum Platform) is a new open-source quantum chemistry library developed to tackle sustainability and interoperability challen

pubs.acs.org
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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 pubs.acs.org/doi/full/10.102…

UMRSF-TDDFT: Unrestricted Mixed-Reference Spin-Flip-TDDFT

Abstract. An unrestricted version of Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (UMRSF-TDDFT) was developed based on unrestricted K

pubs.acs.org
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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 go.acs.org/b4A

Chemoexcited Formation and Radiationless Decay Dynamics of Firefly Chromophore

Abstract. Multistate nonadiabatic dynamics combined with Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) were performed to

pubs.acs.org
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Cheol Ho Choi’s Group retweeted
Cheol Ho Choi’s Group@ChChoi6 Sep 2024
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 (doi.org/10.1021/acs.jpclett.…) & new quantum chem software (github.com/Open-Quantum-Plat…). #PostDoc

Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory: Multireference Advantages with...

Abstract. The density functional theory (DFT) and linear response (LR) time-dependent (TD)-DFT are of the utmost importance for routine computations. Howev

pubs.acs.org
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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 (doi.org/10.1021/acs.jpclett.…) & new quantum chem software (github.com/Open-Quantum-Plat…). #PostDoc

Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory: Multireference Advantages with...

Abstract. The density functional theory (DFT) and linear response (LR) time-dependent (TD)-DFT are of the utmost importance for routine computations. Howev

pubs.acs.org
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Don’t miss the corresponding manuscript of OpenQP: doi.org/10.26434/chemrxiv-20….

OpenQP: A Quantum Chemical Platform Featuring MRSF-TDDFT with an Emphasis on Open-source Ecosystem...

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...

chemrxiv.org
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Introducing OpenQP (github.com/Open-Quantum-Plat…): 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 - Open-Quantum-Platform/openqp: The main repository of Open Quantum Platform (OpenQP)...

The main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU. - Open-Quantum-Platform/openqp

github.com
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New XC Functionals for MRSF-TDDFT targeting IP and VEE. Congrats to Woojin and other guys! pubs.acs.org/articlesonreque…
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doi.org/10.1021/acs.jctc.4c0…

Toward Consistent Predictions of Core/Valence Ionization Potentials and Valence Excitation Energies...

Abstract. Optimizing exchange–correlation functionals for both core/valence ionization potentials (cIPs/vIPs) and valence excitation energies (VEEs) at the

pubs.acs.org
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Konstantin is leaving. Good luck for his future!
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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 go.acs.org/6TL

Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory: Multireference Advantages with...

Abstract. The density functional theory (DFT) and linear response (LR) time-dependent (TD)-DFT are of the utmost importance for routine computations. Howev

pubs.acs.org
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Cheol Ho Choi’s Group retweeted
Will Glover@WilliamJGlover23 Oct 2023
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: wenjuan.com/s/JrieaeW/ #phdposition #phdstudies #phdfellowship #doctoralstudies
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New XC functionals have been developed for MRSF-TDDFT! pubs.acs.org/doi/10.1021/acs… Especially DTCAM-AEE seems to resolve many issues including CT states. @HuixRotllant @Seunghoon_Lee_ @WoojinPark1995 @constlik @JCIM_JCTC @jctc_papers

Doubly Tuned Exchange–Correlation Functionals for Mixed-Reference Spin-Flip Time-Dependent Density...

Abstract. It is demonstrated that significant accuracy improvements in MRSF-TDDFT can be achieved by introducing two different exchange–correlation (XC) fu

pubs.acs.org
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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. youtu.be/iuyJYcuqPzE?si=HFy_… It is related with our previous tweet of
Cheol Ho Choi’s Group@ChChoi28 Sep 2023
Years of efforts paid off! Recent perspective of JPC Letters highlights our MRSF-TDDFT as a groundbreaking technology for quantum mechanical studies. pubs.acs.org/doi/10.1021/acs… @Seunghoon_Lee_ @WoojinPark1995 @constlik @JPhysChem

Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory: Multireference Advantages with...

Abstract. The density functional theory (DFT) and linear response (LR) time-dependent (TD)-DFT are of the utmost importance for routine computations. Howev

pubs.acs.org
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Cheol Ho Choi’s Group retweeted
Will Glover@WilliamJGlover9 Oct 2023
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: march.aps.org/attendees-pres…
Will Glover@WilliamJGlover15 Sep 2023
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 psi-k.net/events/machine-lea…
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#새프로필사진
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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. pubs.acs.org/doi/10.1021/acs… @Seunghoon_Lee_ @WoojinPark1995 @constlik @JPhysChem

Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory: Multireference Advantages with...

Abstract. The density functional theory (DFT) and linear response (LR) time-dependent (TD)-DFT are of the utmost importance for routine computations. Howev

pubs.acs.org
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I met so many wonderful people during this trip. But I first like to thank Igor for invitation! Looking forward to future collaborations. @IgorSchapiro
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It was great to meeting you and am looking forward to future collaboration!
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