Presentations

E. Sim, "Utilizing DC-DFT for Functional Error Reduction," CECAM Flagship Workshop: Accelerating Improvements in Density Functional Theory, Lausanne, Swiss (Aug.21-25, 2023)

E. Sim, "Accurate Water-Water and Water-Molecule Interactions Using Density Functional Calculations," ICSM2023, Seoul, Korea (Aug.9-12, 2023)

E. Sim, "Density-corrected DFT applied to large systems," TDDFT Workshop, Newark, U.S.A. (Jul. 5-8, 2023)

E. Sim, "Extending density functional calculations beyond pure water," The 131th Korean Chemical Society National Meeting, Suwon Convention (Apr. 26-28, 2023)

E. Sim, "Extending density functional calculations beyond pure water" APATCC2023, Quy Nhon, Vietnam (Feb. 19-23, 2023)

E. Sim, "Recent advances in density-corrected density functional theory" NHISS2023, ICC Jeju (Dec. 12, 2022)

E. Sim, "Recent advances in density-corrected density functional theory" International Symposium on Frontiers in Molecular and Material Excitons, Seoul (Nov. 11, 2022)

E. Sim, "Recent advances in density-corrected density functional theory" eCHEM workshop, Daejeon (Nov. 4, 2022)

E. Sim, "New results in density-corrected density functional theory" WATOC2020, Vancouver, Canada (July 2-8, 2022)

E. Sim, "Density-Corrected Density Functional Theory" Department of Chemistry and Nanoscience, Ewha Womans University, Seoul (Mar 12, 2022)

E. Sim, "Producing accurate results with density-corrected density functional theory" Pacifichem (Dec 16-21, 2021)

E. Sim, "Recent Advances in Density-Corrected Density Functional Theory," The 128th Korean Chemical Society National Meeting, BEXCO (Oct 13-15, 2021)

E. Sim, "전산화학의 과거, 현재, 그리고 미래", 금요일에 과학터치, Seoul, (Apr. 30, 2021)

E. Sim, "Density-Corrected Density Functional Theory," Department of Chemistry, Pusan National University, Pusan (Nov 26, 2020)

E. Sim, "Density-Corrected Density Functional Theory," Student Invitation Seminar, Department of Chemistry, Postech, Pohang (Nov 19, 2020)

E. Sim, "Benefits of Inconsistent Density Functional Calculations," APATCC2019, Sydney, Australia (Oct. 1~4, 2019)

E. Sim, "Quantifying Density-Driven Errors in DFT," KCS Physical Chemistry Division Meeting, Busan, Korea (July 8-10, 2019)

E. Sim, "Recent Developments in Density Corrected Density Functional Theory," Theoretical Chemistry: Efforts to Elucidate Structures and Dynamics, KAIST, Daejeon (Oct. 22, 2018)

E. Sim, "Reliable DFT results for spin gaps of transition metal complexes," XXVII International Materials Research Congress-IMRC 2018, Cancun, Mexico (Aug. 19~24, 2018)

E. Sim,“Self-Rolled Nanotubes with Controlled Hollow Interiors by Surface Grafts,“ Jilin University, Changchun, China (May. 23, 2018)

E. Sim,“Reliable DFT results with density correction,“ The 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC2017), Munich, Germany (Aug. 31, 2017)

E. Sim, “Density-Corrected Density Functional Theory," The 119th Korean Chemical Society National Meeting, KINTEX, Shin Kook Joe Academic Excellence Award Lecture (April 21, 2017)

E. Sim, "Avoiding Self-Interaction-Errors in Density Functional Theory," The 3rd China-Japan-Korea Workshop on Theoretical and Computational Chemistry, Daejon, Korea (Jan. 11, 2017)

E. Sim, "Consistency in Density Functional Calculations," Symposium of CDLC, Seoul, Korea (Jan. 23, 2017)

E. Sim, "Ion Permeability: Soft-Wall Pore Steric Hindrance," KCS Physical Chemistry Division Meeting, Busan, Korea (July 12, 2016)

E. Sim, "Importance of Density in Density Functional Theory," APMAS Congress 2016, Istanbul, Turkey (June 1, 2016)

E. Sim, "Toward Understanding Density in Density Functional Theory," APCTCC7, Kaohsiung, Taiwan (Jan. 27, 2016)

E. Sim, "Broadening the Scope of DFT: Density Corrected Density Functional Theory," The Hong Kong University of Science and Technology, China (Nov. 18, 2015)

E. Sim, “Accurate Electronic Structures from Practical Computations: Density Corrected Density Functional Theory (DC-DFT)", IUPAC 45th World Chemistry Congress, Busan, Korea (Aug. 11, 2015)

E. Sim, "Search and Analysis of Paths for Quantum Transfer Processes", IUPAC Satellite Workshop, Pohang, Korea (Aug. 8, 2015)

E. Sim, "Toward Accurate Nanomaterial Computations with Practical Tools: Density Corrected Density Functional Theory", Nano Korea 2015, Seoul, Korea (Jul. 2015)

E. Sim, "Carrier Mobility of Ultra Small Nanocrystal Solids", The 15th International Congress of Quantum Chemistry(ICQC) Satellite Workshop-RAQDT, Beijing, China (Jun. 2015)

E. Sim, M.-C. Kim, and K. Burke, "Dissociation Curves of Diatomic Molecules: A Density-Corrected Density Functional Theory Study", ICCMSE 2015, Athens, Greece (Mar. 2015)

E. Sim, "Density Corrected Density Functional Theory for Abnormal Density Functional Calculations", Division of Chemistry and Biological Chemistry Seminar, Nanyang Technological University, Singapore (Jan. 2015)

E. Sim, "Density Corrected Density Functional Theory (DC-DFT) for Abnormal Density Functional Calculations", QSCP XIX, Taipei, Taiwan (Nov. 2014)

E. Sim, "Density-Corrected Density Functional Theory for Abnormal Density Functional Calculations", Chemistry Dept. Seminar, Chung-Ang University (Sept. 2014)

E. Sim, "Understanding Molecules through Computational Chemistry", Chemistry Dept. Seminar, KAIST (May 2014)

E. Sim, "Theoretical Studies at Nanoscales", 113th Korean Chemical Society Meeting, KINTEX (Apr. 2014)

E. Sim, "Carrier Mobilities of Semiconductor Nanocrystal Arrays", UKC2013, East Rutherford, NJ, U.S.A. (Aug. 2013)

E. Sim, "Carrier Mobilities of Semiconductor Nanocrystal Arrays", APCTCC6, Gyeongju, Korea (Jul. 2013)

E. Sim, "Electron and Hole Mobility of Semiconductor Nanocrystal Arrays", STRP, Jeju, Korea (Jul. 2013)

E. Sim, "Study of quantum transport processes using path integral formalism", Chemistry Dept. Seminar, University of Illinois at Urbana-Champaign, IL, U.S.A. (Jan. 2011)

E. Sim, "Study of quantum transport processes using path integral formalism", Chemistry Dept. Seminar, University of California, Irvine, CA, U.S.A. (Jan. 2011)

E. Sim, "A pathway analysis of long-range DNA charge transfer processes", International symposium on noise in complex systems: From molecular dynamics to stochastic modeling / KAIST (Oct.6-9, 2008)

E. Sim, "Coherence length determination of artificial photonic wires based on quantum pathway analysis", 2008 Korea-Japan Symposium on Frontier Photoscience / Jeju (Sep.25-28, 2008)

E. Sim, "Pathway Analysis on Quantum Transport Processes", Symposium on application of statistical mechanics in chemistry and biophysics / KAIST (Aug.21-22, 2008)

E. Sim, "Pathway Analysis on Quantum Transport Processes", The 1st CMD International Symposium / SNU, Seoul (May 30-Jun.1, 2008)

E. Sim, "Pathway Analysis on Quantum Transport Processes", The 88th Annual Meeting of the Chemical Society of Japan / Tokyo, JAPAN (Mar.26-29, 2008)

E. Sim, "Pathway analysis of quantum transport processes", 12th Korea-Japan Joint Symposium on Frontiers of Molecular Science / Jeju (Jul.5, 2007)

E. Sim, "Pathway analysis of long-range charge transfer processes", Molecular Computation Workshop / KIAS, Seoul (Feb.13, 2007)

E. Sim, "Pathway analysis of long-range charge transfer processes", The 98th Korean Chemical Society National Meeting / Kwangjoo (Oct.19-20, 2006)

E. Sim, "Toward Understanding the Charge Transfer Mechanism in Complex Systems", The 10th East Asian Workshop on Chemical Reactions / Taipei, Taiwan (Mar.2006)

E. Sim, "Determination of the charge transfer mechanism in complex biological environments", Symposium on Future of Theoretical Chemistry / Chungang Univ., Seoul (Nov.30,2005)

E. Sim, "Charge transfer mechanism in biological molecules", 95th Korean Chemical Society/ Inha University, Incheon (Apr.22-23, 2005)

E. Sim, "Real Time Quantum Simulations on Electron Transfer Systems", Korean Supercomputing Workshop / Taejon, Korea (Oct.2004)

E. Sim, "Quantum dynamics for a system coupled to slow baths: on-the-fly filtered propagator functional", Theory and Applications of Computational Chemistry / Gyeongju, Korea (Feb.2004)

E. Sim, "Self-rolled nanotubes with controlled hollow interiors by surface grafts", Pacifichem / Honolulu, USA (Dec. 2015)

E. Sim, "Long-range quantum transfer processes : A pathway analysis", American Chemical Society National Meeting / Boston, Massachusetts, USA (Aug. 2010)

E. Sim, "Effect of the potential parameters on the electron transfer mechanism in donor-bridge-acceptor systems", American Conference on Theoretical Chemistry / Los Angeles, CA, USA (Jul, 2005)

E. Sim, "A current density functional approach to electronic conductance in molecular wire junctions", American Chemical Society National Meeting / New Orleans, Lousiana, USA (Mar, 2003)

E. Sim, "A new definition of kinetic energy density", American Physics Society March Meeting / Indianapolis, Indiana, USA (Mar, 2002)

E. Sim, "Fragility and dynamics of binary Lennard-Jones mixture glass model: Molecular dynamics study", Gordon Conferences on Malten Salts / Henniker, New Hampshire (Jul, 1999)

E. Sim, "Lennard-Jones glass model: Molecular dynamics study", American Conference on Theoretical Chemistry / Boulder, Colorado, USA (Jun, 1999)

E. Sim, "Atomic glass formation and local rearrangement: Amorphization in planar clusters", Materials Research Society Fall Meeting / Boston, Massachusetts (Nov, 1998)

E. Sim, "Dynamics and structure of a two dimensional Lennard-Jones amorphous system using molecular dynamics simulation", American Chemical Society National Meeting / Boston, Massachusetts, USA (Aug, 1998)

E. Sim, "Path integral simulation of charge transfer dynamics in photosynthetic reaction centers", 30th Midwest Theoretical Chemistry Conference / Urbana, Illinois, USA (May, 1997)

E. Sim and N. Makri, "Filtered propagator functional for iterative dynamics of quantum dissipative systems”, 29th Midwest Solid State Theory Symposium, Urbana, Illinois, USA (October 1996)

E. Sim and N. Makri, "Long-time quantum simulation of the primary charge separation in bacterial Photosynthesis", American Conference on Theoretical Chemistry, Park City, Utah, USA (July 1996)

E. Sim and N. Makri, "Block tensor propagator of weight-selected paths for quantum dissipative dynamics with long-memory kernels", American Conference on Theoretical Chemistry, Park City, Utah, USA (July 1996)

E. Sim and N. Makri, "The primary charge separation in bacterial photosynthetic reaction center", 29th Midwest Theoretical Chemistry Conference, Indianapolis, Indiana, USA (May 1996)

E. Sim and N. Makri, "Time-dependent discrete variable representations for wavepacket or density matrix propagation", 28th Midwest Theoretical Chemistry Conference and Pople Symposium, Evanston, Illinois, USA, (May 1995)

E. Sim and N. Makri, "Time-dependent discrete variable representation of quantum time-evolution operator", 208th American Chemical Society National Meeting, Washington D.C., USA (August 1994)

[Oral] Y. Kim, E. Sim, "HF-DFT Transferability in Solid-State Chemistry: A Case Study of CO-NaCl(100)" 2024 신촌지역 화학과 대학원생 공동 워크샵 (February 25. 2024)

[Oral] M. Lee, E. Sim, "Density and Dispersion Aspects in Dual-Calibrated Density Functional Theory" 2024 Yonsei Ewha Sogang Theoretical / Computational Chemistry Workshop 서강대학교 (Jan 11. 2024)

[Oral] S. Lee, E. Sim, "Determining Active Sites through Density Sensitivity in Projection Based Embedding" 2024 Yonsei Ewha Sogang Theoretical / Computational Chemistry Workshop 서강대학교 (Jan 11. 2024)

[Poster] S. Kim, Y. Kim, E. Sim, "Basis Set Superposition Error and Counterpoise Correction in Hartree-Fock DFT" 132nd General Meeting of the Korean Chemical Society, Kimdaejung Convention Center, Gwangju, Korea (Oct 25-27, 2023)

[Poster] B. Kim, Y. Kim, E. Sim, "Complete Basis Set Limit of HF-DFT" 132nd General Meeting of the Korean Chemical Society, Kimdaejung Convention Center, Gwangju, Korea (Oct 25-27, 2023)

[Poster] J. Shin, M. Sim, S. Lee, Y. Kim, E. Sim, "Density-Corrected DFT for Molecular Properties: Dipole Moment" 132nd General Meeting of the Korean Chemical Society, Kimdaejung Convention Center, Gwangju, Korea (Oct 25-27, 2023)

[Poster] M. Lee, M. Sim, E. Sim, "Dispersion Corrections to Density-Corrected Density Functional Theory: DC2-DFT" 132nd General Meeting of the Korean Chemical Society, Kimdaejung Convention Center, Gwangju, Korea (Oct 25-27, 2023)

[Poster] Y. Kim, E. Sim, "Transferability of HF-DFT to Periodic Systems" 132nd General Meeting of the Korean Chemical Society, Kimdaejung Convention Center, Gwangju, Korea (Oct 25-27, 2023)

[Poster] S. Lee, E. Sim, "Improving Efficiency of Quantum Chemical Computations through Density Sensitivity of Atoms" 132nd General Meeting of the Korean Chemical Society, Kimdaejung Convention Center, Gwangju, Korea (Oct 25-27, 2023)

[Oral] M. Sim, Y. Kim, E. Sim, "Density-Corrected DFT for Large Molecular Systems" 132nd General Meeting of the Korean Chemical Society, Kimdaejung Convention Center, Gwangju, Korea (Oct 25-27, 2023)

[Poster] M. Lee, M. Sim, E. Sim, "Dispersion Corrections to Density-Corrected Density Functional Theory: DC2-DFT" 140th Summer Symposium of Korean Chemical Society-Physical Chemistry Division, Hanhwa Resort, Busan, Korea (June 19-21, 2023)

[Poster] Y. Kim, E. Sim, "Energy Prediction of HF-DFT in ICE Structures" 140th Summer Symposium of Korean Chemical Society-Physical Chemistry Division, Hanhwa Resort, Busan, Korea (June 19-21, 2023)

[Poster] S. Lee, S. Song, E. Sim, "Improving the Efficiency of Quantum Chemical Computations through Atomic Orbital Space Segmentation" 140th Summer Symposium of Korean Chemical Society-Physical Chemistry Division, Hanhwa Resort, Busan, Korea (June 19-21, 2023)

[Poster] M. Sim, Y. Kim, S. Song, E. Sim, "Density-Corrected DFT for Large Systems: Hartree-Fock Perturbative Correction DFT" 140th Summer Symposium of Korean Chemical Society-Physical Chemistry Division, Hanhwa Resort, Busan, Korea (June 19-21, 2023)

[Poster] H. Yu, S. Song, S. Nam, K. Burke, E. Sim, "Investigating the Impact of Spin Contamination in Open-Shell Hartree-Fock DFT" 140th Summer Symposium of Korean Chemical Society-Physical Chemistry Division, Hanhwa Resort, Busan, Korea (June 19-21, 2023)

[Poster] Y. Kim, D. Kim, M. Cho, E. Sim, "Metastabilization in Phase Change Memory: A Crucial Role of Vacancies" 131st General Metting of the Korean Chemical Society, Convention Center, Suwon, Korea (April 26-28, 2023)

[Poster] S. Lee, S. Song, E. Sim, "Improving the Efficiency of Quantum Chemical Computations through Atomic Orbital Space Segmentation" 131st General Metting of the Korean Chemical Society, Convention Center, Suwon, Korea (April 26-28, 2023)

[Poster] M. Sim, S. Song, E. Sim, "Density-Corrected DFT for Large Systems" 131st General Metting of the Korean Chemical Society, Convention Center, Suwon, Korea (April 26-28, 2023)

[Oral] H. Yu, E. Sim, "Investigating the Impact of Spin Contamination on the Accuracy of UHF-DFT Calculations" 131st General Metting of the Korean Chemical Society, Convention Center, Suwon, Korea (April 26-28, 2023)

[Oral] H. Yu, S. Song, E. Sim, "Spin Contamination Issue in DC(HF)-DFT" 2023 Yonsei Ewha Sogang Theoretical / Computational Chemistry Workshop 연세대학교 (Jan 5. 2023)

[Oral] M. Sim, S. Song, E. Sim, "Density-Corrected DFT for Large Systems: Hartree-Fock Perturbative Corrected-DFT" 2023 Yonsei Ewha Sogang Theoretical / Computational Chemistry Workshop 연세대학교 (Jan 5. 2023)

[Oral] Y. Kim, S. Kim, H. Kim, E. Sim, "Ultrafast Carrier-Lattice Interactions & Interlayer Modulations of Bi2Se3: A Density Functional Theory Study" 대한화학회 물리화학분과회 여름심포지엄 한화리조트 해운대 (June 27-29. 2022)

[Poster] S.C. Lee, Y.S. Kim, Y.J. Kim, E. Sim, "Identifying Synthesis Mechanism of a Scorpionate type Catalyst for Synthesis of Cyclic Carbonates using Internal Epoxides and CO2 at Ambient Conditions" 대한화학회 물리화학분과회 여름심포지엄 한화리조트 해운대 (June 27-29. 2022)

[Poster] H. Yu, S. Song, E. Sim, "DC(HF)-DFT for Open-Shell Systems" 대한화학회 물리화학분과회 여름심포지엄 한화리조트 해운대 (June 27-29. 2022)

[Poster] S.H. Lee, S. Song, E. Sim, "Exploring Density Errors in DFT with Real Space Segmentation" 대한화학회 물리화학분과회 여름심포지엄 한화리조트 해운대 (June 27-29. 2022)

[Poster] M. Sim, S. Song, E. Sim, "Density-Corrected DFT for Large Systems: Hartree-Fock Perturbative Corrected-DFT" 대한화학회 물리화학분과회 여름심포지엄 한화리조트 해운대 (June 27-29. 2022)

[Poster] Y. Kim, D. Kim, M. Cho, E. Sim, "Role of Vacancies in Phase Change Materials" 제129회 대한화학회 학술발표회 제주국제컨벤션센터 (April 13-15. 2022)

[Oral] Y. Kim, E. Sim, "Vacancies in Phase Change Materials" 2022 신촌지역 화학과 대학원생 공동 워크샵 (February 7-8. 2022)

[Oral] S.C. Lee, E. Sim, "ML-XC Functional Targeting Decomposed Errors" 2022 Yonsei Ewha Sogang Theoretical / Computational Chemistry Workshop 온라인 (Jan 4. 2022)

[Oral] Y. Kim, E. Sim, "Role of Vacancies in Phase Transition Materials" 2022 Yonsei Ewha Sogang Theoretical / Computational Chemistry Workshop 온라인 (Jan 4. 2022)

[Oral] S. Song, E. Sim, "Why Additional Corrections Terms Compensate DFA? " 대한화학회 BEXCO (Oct 13-15. 2021)

[Poster] Y. Kim, S. Song, E. Sim, "DFT Functional Dependency on Graphene-Related Materials" 대한화학회 BEXCO (Oct 13-15. 2021)

[Poster] S.C. Lee, S. Song, E. Sim, "Machine-Learned XC Functional with Decomposed Error Target" 대한화학회 BEXCO (Oct 13-15. 2021)

[Poster] H. Yu, S. Song, E. Sim, "Constrained Unrestricted Hartree-Fock Based Double-Hybrid Density Functional Approximation: cuBL1p" 대한화학회 BEXCO (Oct 13-15. 2021)

[Oral] S. Song, E. Sim, "Empirical Density Corrected Density Functional Approximation: BL1p" 대한화학회 물리화학분과회 온라인&라마다프라자 제주 (July 11-14, 2021)

[Poster] H. Park, E. Sim, "Molecular Dynamics Study of the Unique Behavior of the Confined Water" 대한화학회 물리화학분과회 온라인&라마다프라자 제주 (July 11-14, 2021)

[Poster] Y. Kim, S. Song, E. Sim, "DFT Functional Dependency on Single and Twisted Bilayer Graphene" 대한화학회 물리화학분과회 온라인&라마다프라자 제주 (July 11-14, 2021)

[Poster] S.C. Lee, S. Song, E. Sim, "ML-based exchange-correlation functional targeted decomposed errors" 대한화학회 물리화학분과회 온라인&라마다프라자 제주 (July 11-14, 2021)

[Poster] H. Yu, S. Song, E. Sim, "Treating Spin-Contaminated Systems with Restricted Open-Shell Hartree Fock Orbitals" 대한화학회 물리화학분과회 온라인&라마다프라자 제주 (July 11-14, 2021)

[Oral] S. Song, E. Sim, "Improving Empirical Density Functionals via DC-DFT" 대한화학회 온라인&수원컨벤션센터 (April 22, 2021)

[Poster] S. Nam, E. Sim, "KS-pies: An Open-Source Program for Kohn-Sham Inversion" 대한화학회 온라인&수원컨벤션센터 (April 23, 2021)

[Poster] H. Park, E. Sim, "TD-DFT error decomposition" 대한화학회 온라인&수원컨벤션센터 (April 23, 2021)

[Poster] Y. Kim, S. Song, E. Sim, "A DFT Study for Single and Bilayer Graphene Material" 대한화학회 온라인&수원컨벤션센터 (April 23, 2021)

[Poster] S.C. Lee, S. Song, E. Sim, "Machine learning based exchange-correlation functional with decomposed error correction" 대한화학회 온라인&수원컨벤션센터 (April 23, 2021)

[Poster] H. Yu, S. Song, E. Sim, "Improved Double-Hybrid Density Functional with Restricted Open-Shell Hartree-Fock Orbitals" 대한화학회 온라인&수원컨벤션센터 (April 23, 2021)

[Oral] S. Song, E. Sim, "Contamination from density-driven errors: Pitfalls in optimizing empirical Functionals" 2021 Yonsei Ewha Sogang Theoretical / Computational Chemistry Workshop 온라인 (Jan 26. 2021)

[Oral] S. Nam, E. Sim, "On the Reliability of Kohn-Sham Inversion Methods to Density-Driven Error Calculation," 대한화학회 온라인&수원컨벤션센터 (July 7, 2020)

[Poster] S. Song, E. Sim, "Importance of DFT Error Classification" 대한화학회 온라인&수원컨벤션센터 (July 7, 2020)

[Poster] E. Cho, S. Song, E. Sim, "Accurate Description of Torsional Energy Profile using Density-Corrected Density Functional Theory" 대한화학회 물리화학분과회 Busan, Korea (July 8, 2019)

[Poster] H. Park, E. Sim, "DFT Error Decomposition of Density-Insensitive Reaction Databases" 대한화학회 물리화학분과회 Busan, Korea (July 8, 2019)

[Poster] E. Cho, S. Song, E. Sim, "Accurate Description of Torsional Energy Profile using Density-Corrected Density Functional Theory" 대한화학회 수원컨벤션센터 (April 19, 2019)

[Poster] S. Nam, E. Sim, "Correcting Approximate Density Functionals by Parts" 대한화학회 수원컨벤션센터 (April 19, 2019)

[Oral] S. Song, E. Sim, "Density Sensitivity Analysis of DFT: Measurement and Practical Solution" 대한화학회 수원컨벤션센터 (April 18, 2019)

[Poster] Y. Kim, S. Song, E. Sim, "Radical Stabilization Energy of Carbon-Centered Radicals in Density Functional Theory" 대한화학회 ICCJEJU (April 20, 2018)

[Poster] H. Kim, E. Sim, "Optoelectronic Properties of CdSe Nanocrystal Solids" 대한화학회 ICCJEJU (April 20, 2018)

[Poster] S. Song, E. Sim, "Accurate prediction of reaction barrier height by analyzing DFT errors" 대한화학회 ICCJEJU (April 20, 2018)

[Poster] S. Yoon, E. Sim, "Detection of explosive nitro aromatics by lead(II) complexes : Experimental and theoretical rationalization" 대한화학회 ICCJEJU (April 20, 2018)

[Oral] S. Nam, E. Sim, "Simplified Model for Soft-Wall Ion Channel" 대한화학회 ICCJEJU (April 19, 2018)

[Oral] H. Park, Y. Kim, E. Sim, "Benchmarking calculation of weak interaction using Density-Corrected Density Functional Theory" 계산화학 에디슨 SW 활용 경진대회, KT인재개발원(대전), KISTI EDISON (February 23, 2018)

[Oral] S. Song, M. Kim, E. Sim, "Single molecular spin crossover materials: accurate prediction of stable spin state using standard DFT" 대한화학회 KINTEX (April 20, 2017)

[Poster] S. Yoon, E. Sim, "Design of self-transforming nanosheets to helices" 대한화학회 KINTEX (April 20, 2017)

[Poster] H. Kim, E. Sim, "Optoelectronic studies of Bare and Ligand capped CdSe" 대한화학회 KINTEX (April 20, 2017)

[Poster] S. Nam, E. Sim, "Reaction between molybdenum and hydrogen sulfide in gas phase" 대한화학회 KINTEX (April 20, 2017)

[Poster] T. Oh, E. Sim, "Disorderly synthesized nanocrystals with Disordered distribution cause Disorder energy" 대한화학회 KINTEX (April 20, 2017)

[Poster] S. Song, M. Kim, E. Sim, "Correcting Standard DFT open-shell problem: Transition Metal complexes" 대한화학회 물리화학분과회 Busan, Korea (July 11, 2016)

[Poster] S. Yoon, E. Sim, "Design of Self-transforming nanosheets to helical structures" 대한화학회 물리화학분과회 Busan, Korea (July 11, 2016)

[Poster] H. Kim, M. Kim, E. Sim, "Optoelectronic Properties of CdSeNanocrystal Solids" 대한화학회 물리화학분과회 Busan, Korea (July 11, 2016)

[Poster] S. Nam, E. Sim, "Origin of Hydrophobicity : Interface Between Water and Hydrophobic Molecules" 대한화학회 물리화학분과회 Busan, Korea (July 11, 2016)

[Poster] S. Nam, E. Sim, "Density Functional Theory Study of Tyr-C7 Self-Assembly Size in Methanol, Ethylene Glycol and 1,3-propanediol" 대한화학회 KINTEX (April 20, 2016)

[Poster] S. Song, E. Sim, "Determination of molecular electron delocalization for conjugated system" 대한화학회 KINTEX (April 20, 2016)

[Poster] O. Choi, E. Sim, "Carrier Mobility in Nanocrystal Arrays" 대한화학회 KINTEX (April 20, 2016)

[Poster] S. Yoon, E. Sim, "Self-assembly control of helical structure by defect designed nanosheet" 대한화학회 KINTEX (April 20, 2016)

[Poster] H. Kim, M. Kim, E. Sim, "Optoelectronic studies of Bare and Ligand capped CdSe" 대한화학회 KINTEX (April 20, 2016)

[Poster] M. Kim, H. Kim, E. Sim, "Electron Injection Mechanism of Oxide Insulator-Cathode Buffer Layer System" 대한화학회 KINTEX (April 20, 2016)

[Poster] Y. Kim, K. Burke, E. Sim, "Energy predictions of HF-DFT in periodic systems" Accelerating Improvements in Density Functional Theory, CECAM-HQ-EPFL, Lausanne, Switzerland (August 21-25, 2023)

[Poster] S. Song, S. Vuckovic, K. Burke, E. Sim, "Practical Density-Corrected DFT Functional" 12th Triennial Congress of the World Association of Theoretical and Computational Chemists, Vancouver, Canada (July 5, 2022)

[Poster] Y. Kim, D. Kim, M. Cho, E. Sim, "Vacancies: Meta-Stabilization for Phase-Change Memory" 12th Triennial Congress of the World Association of Theoretical and Computational Chemists, Vancouver, Canada (July 5, 2022)

[Oral] S. Song, E. Sim, "Importance of error decomposition in empirical density functionals" RUTGERS (TD)DFT Student Seminar Series, Online & Newark, NJ, USA (July 13, 2021)

[Poster] S. Nam, E. Sim, "Separation of density-driven error and functional error of density functional theory calculations via Kohn-Sham inversion" 10th Triennial Congress of the International Society for Theoretical Chemical Physics, Tromsø, Norway (July. 11-17, 2019)

[Poster] S. Song, E. Sim, "Density sensitivity analysis of DFT: Measurement and Practical Solution" 10th Triennial Congress of the International Society for Theoretical Chemical Physics, Tromsø, Norway (July. 11-17, 2019)

[Poster] S. Song, K. Burke, E. Sim, "Correction abnormal DFT calculation via density correction" International Symposium on Ab Initio Electron Dynamics Simulations, Tsukuba, Japan (Nov. 14-16, 2018)

[Poster] S. Song, M. Kim, E. Sim, "Correcting DFT problems for the spin-state of transition metal complexes" The 21st Asian Workshop on First-Principles Electronic Structure Calculations, KAIST, Daejeon (Oct. 29-31, 2018)

[Poster] Y. Kim, S. Song, E. Sim, "Non-Covalent Interactions in Density Functional Calculations" The 21st Asian Workshop on First-Principles Electronic Structure Calculations, KAIST, Daejeon (Oct. 29-31, 2018)

[Poster] M. Kim, E. Sim, "Abnormalities in Density Functional Calculations on Ions and Radicals and its solution: Density-Corrected Density Functional Theory" The 21st Asian Workshop on First-Principles Electronic Structure Calculations, KAIST, Daejeon (Oct. 29-31, 2018)

[Poster] S. Nam, E. Sim, "Computational approach to self-assembly mechanism of tyrosyl bolaamphiphilic molecules." International Symposium on Advanced Molecular Sciences,  Shanghai, China (Oct. 9-12, 2018)

[Poster] S. Nam, E. Sim, "Conformation and optical properties of meso-meso linked Zn(ll) porphyrin arrays through coarse-grained local structure library sampling method" International Symposium on Advanced Molecular Sciences,  Shanghai, China (Oct. 9-12, 2018)

[Poster] Y. Kim, S. Song, E. Sim,  "Benchmark calculation of radical stabilization energy in DFT" International Symposium on Advanced Molecular Sciences,  Shanghai, China (Oct. 9-12, 2018)

[Poster] Y. Kim, S. Song, E. Sim, "Theoretical approach to the reactivity trend of inverse electron demand diels-alder reactions" International Symposium on Advanced Molecular Sciences,  Shanghai, China (Oct. 9-12, 2018)

[Oral] S. Song, E. Sim, "Reliable prediction of the Reaction Barrier Height with HF-DFT" American Physical Society, LA, CA, USA (Mar. 5, 2018)

[Oral] S. Nam, D. Kim, E. Sim, "Conformational Analysis of meso-meso Directly-Linked Porphyrin Arrays by Coarse-Grained Local Structure Library Sampling Method" Korea-Japan Molecular Science Symposium Busan, Korea (July 11, 2017)

[Poster] Y. Kim, S. Song, E. Sim, "Theoretical approach to the Driving force of Inverse Electron Demand Diels-Alder Reactions through Ru2+ ion attached Diphenyl Tetrazines" Korea-Japan Molecular Science Symposium Busan, Korea (July 10, 2017)

[Poster] H. Kim, E. Sim, "TBA," Korea-Japan Molecular Science Symposium Busan, Korea (July 10, 2017)

[Poster] S. Song, M. Kim, E. Sim, "Is the hybrid functional the only solution for the spin-crossover complexes?" Korea-Japan Molecular Science Symposium Busan, Korea (July 10, 2017)

[Poster] S. Song, M. Kim, E. Sim, "How to obtain accurate adiabatic energy gap of transition metal complexes with standard DFT" IPAM, UCLA, LA, CA, USA  (Aug. 22, 2016)