PI's 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)