2014

1. Ab-initio quantum simulations of complex photocatalytic reactions - E. Kaxiras, D. Vinichenko, G. Kolesov, G. Tritsaris, COST – Conference: Fundamental Problems in Quantum Physics, March 23-27 2014, Weizmann Institute, Israel. [pdf]
2. Can a computer save you from Heat attack? - E. Kaxiras, School of Engineering and Applied Sciences - Overseers Meeting, 9 February 2014, Harvard University. [pdf]
3. Efficient determination of soft spots in amorphous solids only using local structural information - E.D. Cubuk, S. Schoenholz, J. Rieser, B. Malone, J. Rottler, D. Durian, A. J. Liu, E. Kaxira, March Meeting of American Physical Society, 3-7 March 2014, CO. [pdf]
4. A neural network representation of the potential energy surface in Si- and Si-Li systems, B. Malone, E.D. Cubuk, E. Kaxiras, March Meeting of American Physical Society, 3-7 March 2014, CO. [pdf]
5. Ab‐inito calculations of optical excitations in solids and molecules, E. Kaxiras, D. Vinichenko, G. Kolesov, G. Tritsaris, Symposium on Physics of Complex Materials – in Honor of Prof. Shi-­‐Yu Wu April 18, 2014, University of Louisville, KY. [pdf]
6. Multiscale Simulations of Materials: Exploring New Physics and Applications, E. Kaxiras, G. Kolesov, D. Vinichenko, G. Tritsaris, W. Wang, J. Cheng, H. Mosallaei, ICTP-ECAR Inaugural Symposium – May 5-7, 2014, Izmir, Turkey. [pdf]
7. Ab‐inito studies of optical excitations in solids and molecules, E. Kaxiras, G. Kolesov, D. Vinichenko, G. Tritsaris, W. Wang, J. Cheng, H. Mosallaei, Physics Colloquium, Sabanci University – May 8, 2014, Istanbul, Turkey. [pdf]
8. Ab‐inito studies of optical excitations in solids and molecules, E. Kaxiras, Thomas Young Center Lecture, University College London - July 3, 2014, London, England. [pdf]
9. Electronic and optical properties of functionalized graphene and 2D layered materials, E. Kaxiras, W. L. Wang, B. Malone, G. Tritsaris, E. Santos, 11^th International Conference on Nanosciences & Nanotechnologies (NANO14), 8-11 July 2014, Thessaloniki, Greece. [pdf]
10. Overview of Integrated Mesoscale Architectures for Sustainable Catalysis Energy Frontiers Research Center, E. Kaxiras, Harvard University Center for the Environment Graduate Seminar, 3 October, 2014, Harvard University. [pdf]
11. Using Computational Science to Address Key Challenges (from fundamental physics to real-world problems), E. Kaxiras, Nanoresearch: Swiss and American perspectives on academic-industrial collaboration, Swissnex Boston, 2 December 2014. [pdf]

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2013

1. Quasiparticle band structures and interface physics of SnS and GeS - Brad Malone and E.Kaxiras, Contributed talk, March Meeting of the American Physical Society, 18-22 March 2013, Baltimore, MD. [pdf]
2. Multiscale modeling of 2D nanostructures for electronic and energy-related applications, E. Kaxiras, Invited talk, March Meeting of the American Physical Society, 18-22 March 2013, Baltimore, MD. [pdf]
3. Tuning the Electronic and Chemical Properties of Monolayer MoS2 Adsorbed on Transition Metal Substrates, Wei Chen, E.J.G. Santos, W.G. Zhu, E. Kaxiras, Z.Y. Zhang, Contributed talk, March Meeting of the American Physical Society, 18-22 March 2013, Baltimore, MD. [pdf]
4. Electric field dependence of the effective dielectric constant in graphene materials, Elton J.G. Santos and E. Kaxiras, Contributed talk, March Meeting of the American Physical Society, 18-22 March 2013, Baltimore, MD. [pdf]
5. Theoretical and experimental studies of the properties of nanostructured graphene, E. Kaxiras, W.L. Wang, O. Yazyev, E.J.G. Santos, Invited talk, BACON Day 2013, June 19, 2013, Boston University, Boston, MA. [pdf]
6. Theoretical and experimental studies of electronic properties of nanostructured graphene and related layered materials, E. Kaxiras, Invited Talk, 10^th International Conference on Nanosciences & Nanotechnologies (NANO13), 9-12 July 2013, Thessaloniki, Greece. [pdf]
7. Predicting and Interpreting Complex Phenomena through Multiscale Modeling, E. Kaxiras, Invited talk, 1st Hellenic Forum for Science Technology and Innovation National Center for Scientific Research –  Demokritos, July 17-19, 2013, Athens, Greece.[pdf]
8. Computational Investigation of Complex Biomolecular Units, E. Kaxiras, Invited talk, 3rd European PhD Summer School and Workshop on “Mathematical Modeling of Complex Systems”, 15 – 26 July, 2013, University of Crete, Heraklion, Greece.[pdf]
9. Multiscale Hemodynamics: Using Computation to Diagnose and Predict Heart Disease, IACS Seminar, SEAS, Harvard University, September 13, 2013. [pdf]
10. Modeling of transfer rates in hybrid and organic photovoltaic devices, E. Kaxiras, Invited talk, IPAM – UCLA, Program on Solar Cells, 23-27 September 2013, Los Angeles, CA. [pdf]
11. Simulations of real complex systems: computational science comes of age, E. Kaxiras, Invited talk, Penn Institute for Computational Science, Inaugural Symposium, University of Pennsylvania, 10 October 2013, Philadelphia, PA. [pdf]
12. Real-time simulation of water splitting on rutile TiO2(110) by photo-generated hole, D. Vinichenko, G. A. Tritsaris, E. Kaxiras, Contributed talk, Fall Meeting of the Materials Science Society 1-6 December 2013, Boston, MA. [pdf]
13. Electron-Hole Separation with Dual Electron/Hole Acceptors for Organic Photovoltaic Applications,  W. L. Wang, G. A. Tritsaris, E. J. G. Santos, and E. Kaxiras, Contributed talk, Fall Meeting of the Materials Science Society 1-6 December 2013, Boston, MA.[pdf]

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2012

1. Optical and elastic properties of diamond-like carbon with metallic inclusions: a theoretical study  - Contributed  talk at Symposium NN: Structure-Property Relations in Amorphous Solids, Fall Meeting of the Materials Science Society, 25-30 November 2012, Boston, MA. [pdf]
2. Magnetoelectric coupling, screening and electronic states in graphene- and molybdene-based layered nanostructures - Plenary talk at 9^th International Conference on Nanosciences & Nanotechnologies (NANO12), 3-6 July 2012, Thessaloniki, Greece. [pdf]
3. First-principles calculations of electron and hole transfer rates in organic and hybrid photovoltaic devices - Plenary talk at 5^th International Symposium on Flexible Organic Electronics (ISFOE12) 2-5 July 2012, Thessaloniki, Greece. [pdf]
4. Practices and Perils in Multiphysics Simulations  - Invited  talk at Spring Research Conference: Enabling the Interface between Statistics and Engineering, 13-15 June 2012, Harvard University, Cambridge, MA.  [pdf]
5. Multiscale Modeling of Structural and Electronic Properties of DNA  - Invited  talk at Symposium J: DNA Directed Programmable Self-Assembly of Nanoparticles into Meta Materials for Energy and other Applications, European Materials Research Society Meeting, 14-17 May 2012, Strasbourg, France.  [pdf]
6. Challenges for Computational Sciences  - Invited  talk at National Cancer Institute Workshop on “Integrating the Physical Sciences Perspective to Open a New Frontier in Oncology”, 6-8 February 2012, Bethesda, MD.  [pdf]
7. First-principles investigations of charge carrier dynamics in nanostructured hybrid photovoltaics - Invited  talk at NNIN/C Conference ENCON: Synergy Between Experiment and Computation in Energy: Looking to 2030, 11-13 January 2012, Cambridge, MA. [pdf]

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