Computational Chemistry Seminar Series
Here is a listing of all the theoretical and computational chemistry seminars at UB. It includes presentations from regular departmental seminars in Chemistry, Physics, Chemical and Biological Engineering, Materials Design and Innovation, and others, as well as special seminar series such as the Ruckenstein Lecture and the Foster Chemistry Colloquium.
| Date | Time | Location | Speaker | Title |
|---|---|---|---|---|
| 2022-04-01 | 14:00 | 112 CFA | Prof. Sharon Glotzer (University of Michigan) |
Bonding through Entropy |
(Last update: 2022-04-01)
Past Seminars
| Date | Time | Location | Speaker | Title |
|---|---|---|---|---|
| 2022-03-31 | 15:30 | Zoom | Dr. Rudraprasad Bhattacharyya (Applied Science Practice) |
Multiscale Modeling for Progressive Damage Analysis of Composite Laminates |
| 2022-03-30 | 11:00 | 206 Furnas | Dr. Sarah Alamdari (Microsoft Research) |
Discovery of Biomolecular Structure-Function Mechanisms with Computational Frameworks at the Nanoscale |
| 2022-03-08 | 15:30 | 206 Furnas | Dr. Mohsen Taheri Andani (University of Michigan, Ann Arbor) |
On the Future of Metals: Rapid Discovery of the Processing-Properties-Microstructure Relationship for Next Generation Materials |
| 2022-02-17 | 15:30 | 112 O’Brian | Dr. Shaoting Lin (Massachusetts Institute of Technology) |
Extreme Soft Materials by Polymer-Network Design |
| 2022-02-16 | 11:00 | 206 Furnas | Prof. Andrew White (University of Rochester) |
Iterative Molecular Discovery with Interpretable Deep Learning |
| 2022-02-09 | 11:00 | 206 Furnas | Dr. Alexander Sodt (NIH) |
Molecular Mechanisms of Cellular Lipid Membrane Softness |
| 2021-12-03 | 16:00 | 120 Clemens | Prof. Steven Lopez (Northeastern University) |
Mechanistic Investigations of Photochemical Reactions with Quantum Chemical and Machine Learning Photodynamics Simulations |
| 2021-11-16 | 15:55 | 205 NSC | Prof. Matthias Heyden (Arizona State University) |
Water-Mediated Interactions beyond the Hydrophobic Effect |
| 2021-10-15 | 16:00 | 120 Clemens | Prof. Anatoly Kolomeisky (Rice University) |
How to Understand Mechanism of Protein Search for Targets on DNA |
| 2021-09-17 | 16:00 | Zoom | Prof. Alexey V. Akimov (UB) |
Modeling Nonadiabatic Dynamics in Nanoscale Solar Energy Materials |
| 2021-01-09 | 11:00 | Zoom | Prof. Robert H. Swendsen (Carnegie-Mellon University) |
The Definition of Entropy in Statistical Mechanics |
| 2020-06-01 | 11:00 | Zoom | Prof. Ralph Chamberlin (Arizona State University) |
Seeking a Well-Defined Local Temperature for Nanoscale Fluctuations |
| 2020-03-12 | 15:30 | 14 Knox | Dr. Elham Mirkoohi (Georgia Tech) |
Process Prediction and Planning of Metal Additive Manufacturing Based on Computational Mechanics of Materials |
| 2020-03-12 | 13:00 | 212 O’Brian | Prof. Farhad Ameri (Texas State University) |
Ontologies, Knowledge Graphs, and Semantic AI in Smart Manufacturing Systems |
| 2020-03-09 | 15:30 | 113A Davis | Prof. Fatemeh Nargesian (University of Rochester) |
Data Discovery in Data Lakes |
| 2020-02-28 | 16:00 | 228 NSC | Prof. Christine Aikens (Kansas State University) |
Unraveling Nanoparticle Properties using Theoretical Methods |
| 2020-02-28 | 14:00 | 230A Davis | Dr. Dmitry Gulevich (ITMO University St Petersberg, Russia) |
Many-Electron Correlations in Semiconducting Quantum Wells and 2D Materials |
| 2020-02-28 | 10:00 | 206 Furnas | Dr. Vahid Keshavarzzadeh (University of Utah) |
Robust Design Optimization for Complex Systems Using Scientific Computation |
| 2020-02-27 | 8:30 | 206 Furnas | Dr. Douglas Grzetic (University of California, Santa Barbara) |
Polarization Phenomena in Ion-Containing Polymers: Field-Theoretic Models and Predictions |
| 2020-02-24 | 10:00 | 206 Furnas | Prof. Ashlee Ford-Versypt (Oklahoma State University) |
Multiscale Modeling of Kidney Physiology and Tissue Damage Due to Diabetes |
| 2020-02-20 | 15:30 | 338A Davis | Prof. Jia Zhang (Carnegie Mellon University) |
Facilitating the Reuse of Data Analytics Capabilities |
| 2020-02-17 | 10:00 | 206 Furnas | Dr. Francesco Rossi (Purdue University) |
Smart Machine Learning for Optimal Real-Time Process Operation |
| 2020-02-13 | 8:30 | 206 Furnas | Dr. Viviana Monje-Galvan (University of Chicago) |
Molecular Interactions at Biological Interfaces – A Perspective from Simulations |
| 2020-02-11 | 11:00 | 10 Capen | Dr. Mohammad Khaleel (Oak Ridge National Lab) |
Advanced Materials, Systems and Data Analytics in the Manufacturing Research at Oak Ridge National Laboratory |
| 2020-02-06 | 15:30 | 14 Knox | Dr. Aswin Gnanaskandan (Dynaflow Inc.) |
Towards High Fidelity Multiscale and Multiphysics Modeling and Simulation of Multiphase Flows |
| 2020-02-05 | 11:00 | 206 Furnas | Dr. Eric Walker (UB) |
Data Science in Computational Catalysis |
| 2020-01-31 | 16:00 | 228 NSC | Prof. Brian Kuhlman (University of North Carolina at Chapel Hill) |
Computer-Based Design and Stabilization of Protein Switches and Complexes |
| 2019-12-09 | 10:00 | 113A Davis | Prof. Ashlee Ford Versypt (Oklahoma State University) |
Systems Biomedicine and Pharmaceutics: Multiscale Modeling of Tissues, Treatments and Toxicology |
| 2019-12-05 | 15:30 | 338A Davis | Ms. Nasrin Akhter (George Mason University) |
Summarization, Visualization, and Mining of Molecular Landscapes |
| 2019-12-05 | 15:30 | 14 Knox | Prof. Hussein Aluie (University of Rochester) |
A General Framework to Analyzing Multi-Scale Complex Flows: Applications to Oceanic, Plasma and Compressible Flows |
| 2019-11-22 | 10:00 | 206 Furnas | Dr. Saber Naserifar (California Institute of Technology) |
New Description of ‘Mysterious’ Water and Phenomena Underlying Supercooled Critical Point |
| 2019-11-20 | 11:00 | 206 Furnas | Prof. Arthi Jayaraman (University of Delaware) |
Coarse-Grained Models for Predicting Structure and Thermodynamics in Macromolecular Systems with Specific and Directional Intermolecular Interactions |
| 2019-11-08 | 10:00 | 206 Furnas | Dr. Zijian Hong (Carnegie Mellon University) |
Phase-Field Simulations: A Tale of Two Materials |
| 2019-10-23 | 11:00 | 206 Furnas | Prof. Cameron Abrams (Drexel University) |
Recent Simulation Methods for Resolving Molecular Details in Thermodynamics and Kinetics |
| 2019-10-10 | 15:30 | 14 Knox | Prof. Xin Yong (Binghamton University) |
Computational Modeling of Colloids at Fluid Interfaces |
| 2019-10-10 | 14:00 | 113A Davis | Prof. L. Ridgway Scott (University of Chicago) |
Automated Modeling in Engineering Education |
| 2019-09-27 | 16:00 | 205 NSC | Prof. Graeme Henkelman (University of Texas at Austin) |
Correlating Structure and Function for Nanoparticle Catalysts |
| 2019-09-20 | 14:45 | 140 Ketter | Dr. Yingge Du (Pacific Northwest National Lab) |
Understanding Ion Transport And Ion Transport Induced Phase Transitions In Epitaxy Thin Films |
| 2019-09-19 | 15:30 | 14 Knox | Prof. Ankit Srivastava (IIT Chicago) |
Spectral Properties of Elastodynamic Eigenvalue Problems in the Phononic Context |
| 2019-09-10 | 13:00 | 338A Davis | Prof. Ananth Kalyanaraman (Washington State University) |
On Scaling Irregular Combinatorial Problems with Applications |
| 2019-08-22 | 12:00 | 306 NSC | Dr. Maximillian Amsler (Cornell University) |
Data-Driven Methods and Machine Learning for Materials Discovery |
| 2019-07-01 | 11:00 | 206 Furnas | Dr. Phillip Maffettone (University of Liverpool, UK) |
Intelligent Automation of Materials Discovery |
| 2019-05-10 | 16:00 | 201 SU | Prof. George Whitesides (Harvard University) |
New Kinds of Chemistry |
| 2019-05-02 | 15:30 | 101 Davis | Prof. Rama Chellappa (University of Maryland) |
Domain Adaptation and Generalization Using Shallow and Deep Representations |
| 2019-04-19 | 14:30 | 230A Davis | Prof. Saquib Ahmed (SUNY Buffalo State) |
Simulation Studies Of Viable Perovskite Photovoltaic Devices: Non-Toxic, Cheap Material Alternatives That Have Been Optimized With Their Thicknesses |
| 2019-04-09 | 15:30 | 101 Davis | Prof. Paul Weiss (University of California, Los Angeles) |
Precise Chemical, Physical, and Electronic Nanoscale Contacts |
| 2019-03-28 | 15:30 | 201 SU | Dr. David Gunning (Defense Advanced Research Projects Agency) |
DARPA’s Explainable AI (XAI) Program |
| 2019-03-27 | 11:00 | 206 Furnas | Prof. Peter T. Cummings (Vanderbilt University) |
The Molecular Simulation Design Framework (MoSDeF): Capabilities and Applications |
| 2019-03-08 | 16:00 | 216 NSC | Dr. Ann Richard (Environmental Protection Agency) |
EPA’s Computational Toxicology Program: Innovation Powered by Chemistry |
| 2019-02-27 | 12:00 | 306 NSC | Prof. Hélène Bolvin (Université Paul Sabatier, Toulouse, France) |
Magnetic Properties of Metal Centers Studied with Quantum Chemistry Tools |
| 2019-02-13 | 11:00 | 206 Furnas | Prof. Chris Wilmer (University of Pittsburgh) |
Understanding Thermal Transport in Porous Crystals |
| 2019-02-08 | 15:00 | 684 NSC | Prof. Panos Argyrakis (University of Thessaloniki, Greece) |
Artificial Intelligence Methods and Networks in Multidisciplinary Research |
| 2019-02-01 | 16:00 | 216 NSC | Dr. Angel Garcia (Los Alamos National Laboratory) |
Uncovering the Dynamics of a Molecular Switch: Atomistic Simulations of the Interaction of KRas with Membranes |
| 2018-12-07 | 16:00 | 210 NSC | Prof. Qingfeng Ge (Southern Illinois University) |
Simulating Heterogeneous Catalysis for Energy- and Environment-Related Applications |
| 2018-11-16 | 16:00 | 210 NSC | Prof. Filipp Furche (University of California, Irvine) |
Quantum Chemistry with Vacuum Fluctuations |
| 2018-11-14 | 11:00 | 206 Furnas | Prof. Michael Shirts (University of Colorado, Boulder) |
Why Can’t We Engineer Drugs on a Computer? And What Can Be Done About It? |
| 2018-11-09 | 14:30 | 230A Davis | Prof. Philip Allen (Stony Brook University) |
Heat Transport: Fundamentals and Theory for Nanoscale |
| 2018-11-09 | 12:00 | 14 Knox | Prof. Rong Pan (Arizona State University) |
System Reliability Prediction via Nonparametric Bayesian Network |
| 2018-11-02 | 16:00 | 210 NSC | Prof. Luis Velarde (UB) |
Nonlinear Optics and the Interplay between Electronic Structure and Molecular Vibrations at Interfaces |
| 2018-10-24 | 11:00 | 206 Furnas | Prof. Guofeng Wang (University of Pittsburgh) |
Computational Design of Electrocatalysts for Proton Exchange Membrane Fuel Cells |
| 2018-09-27 | 15:30 | 338A Davis | Dr. Qi Wei (Siemens) |
Inverse Problems: From Inference to Learning |
| 2018-06-08 | 12:00 | 306 NSC | Prof. Oleg Prezhdo (University of Southern California) |
Excited State Dynamics of Photoexcited Charge Carriers in Halide Perovskites: Time-Domain Ab Initio Studies |
| 2018-05-09 | 12:00 | 306 NSC | Prof. Noa Marom (Carnegie Mellon University) |
Effect of Crystal Packing on the Electronic Properties of Molecular Crystals |
| 2018-04-18 | 11:00 | 206 Furnas | Prof. M. Scott Shell (University of California, Santa Barbara) |
Simulation Design Of Interfaces Through Shape And Chemistry |
| 2018-04-13 | 9:30 | 330 SU | Prof. Shi Jin (University of Wisconsin) |
Uncertainty Quantification in Kinetic Theory |
| 2018-04-12 | 16:00 | 101 Davis | Prof. Robert Harrison (Stony Brook University) |
A Sustainable Model for Scientific Simulation in the Exascale Era |
| 2018-04-11 | 11:00 | 206 Furnas | Prof. Rachael Hageman Blair (University at Buffalo) |
Probabilistic Reasoning in Genetic Networks |
| 2018-04-10 | 16:00 | 101 Davis | Prof. Roger Ghanem (University of Southern California) |
Statistical Sampling on Manifolds for Expensive Computational Models |
| 2018-03-30 | 10:00 | 112 CFA | Prof. Sushil Prasad (NSF) |
Research and Education Programs in the NSF Office of Advanced Cyberinfrastructure |
| 2018-03-28 | 11:00 | 206 Furnas | Prof. Jim Pfaendtner (University of Washington) |
Understanding and Controlling Protein Structure and Function at Interfaces |
| 2018-03-26 | 11:00 | 306 NSC | Dr. Benjamin Pritchard (Molecular Sciences Software Institute) |
Overview of the Molecular Sciences Software Institute (MolSSI) |
| 2018-03-14 | 11:00 | 230A Davis | Dr. Kejun Huang (University of Minnesota) |
Latent Variable Identification Using Identifiable Matrix Factorization Methods |
| 2018-02-16 | 16:00 | 228 NSC | Prof. Greg Engel (University of Chicago) |
Design Principles of Energy Transfer in Photosynthetic Light Harvesting |
| 2018-02-13 | 15:30 | 206 Furnas | Dr. Debanjan Mukherjee (University of California, Berkeley) |
Particles In Flow: Computational Insights Into The Rich Dynamics Of Particle Systems, With Applications In Manufacturing And Biomechanics |
| 2018-02-06 | 15:30 | 206 Furnas | Dr. Danial Faghihi (The University of Texas at Austin) |
Data-Enabled Predictive Modeling of Advanced Manufacturing of Materials |
| 2018-01-29 | 14:00 | 230A Davis | Prof. Tibor Grasser (Technical University of Vienna, Austria) |
Modeling Challenges for Advanced Semiconductor Devices |
| 2018-01-17 | 12:00 | 306 NSC | Dr. Sabri Elatresh (Cornell University) |
Phase Stability and Structure Prediction of Solid Li and Na at 1 atm and High Pressure |
| 2018-01-10 | 10:00 | 206 Furnas | Prof. Rudiyanto Gunawan (ETH Zurich, Switzerland) |
Model-based and Data-driven Analysis of Biological Networks |
| 2017-12-07 | 11:00 | 306 NSC | Prof. Hans Ågren (Royal Institute of Technology, Sweden) |
Multi-Scale modeling of Optical Properties of Heterogeneous Nano-Materials |
| 2017-12-06 | 12:00 | 306 NSC | Prof. Marco Caricato (University of Kansas) |
Characterization of Structural and Electronic Properties of Materials from Electronic Structure Theory Simulations |
| 2017-11-20 | 14:00 | 230A Davis | Prof. Vasili Perebeinos (Skolkovo Institute of Science and Technology, Russia) |
Electronics and Optoelectronics of 1D & 2D Materials from Microscopic Modelling |
| 2017-11-20 | 11:00 | 140 Ketter | Dr. Julia Dshemuchadse (University of Michigan) |
Complex Crystal Structures in Hard and Soft Condensed Matter |
| 2017-11-06 | 11:00 | 206 Furnas | Prof. Rudiyanto Gunawan (ETH Zurich, Switzerland) |
Extracting Insights from Biological Data using Network Analysis |
| 2017-10-04 | 11:00 | 206 Furnas | Prof. Jingguang Chen (Columbia University) |
Converting CO2 via Thermocatalysis and Electrocatalysis |
| 2017-09-20 | 11:00 | 206 Furnas | Prof. Jean-Luc Brédas (Georgia Tech) |
Organic Solar Cells: Characterization of Interfacial Charge-Separation and Charge-Recombination Processes |
| 2017-09-08 | 16:00 | 228 NSC | Prof. Krishna Rajan (UB) |
Designing Chemistry to Engineer Multiscale Materials Behavior |
| 2017-07-31 | 16:00 | 207 Furnas | Prof. Dane McCamey (University of New South Wales, Australia) |
Influence of Spin on Optoelectronic Properties of Organic Materials and Devices |
| 2017-07-24 | 13:00 | 206 Furnas | Mr. Aditya Sonpal (UB) |
CSC Workshop: Introduction to Databases and Web Frameworks |
| 2017-06-09 | 12:00 | 306 NSC | Dr. Thomas Soini (SCM) |
Chemistry and Materials Science with the ADF Modeling Suite |
| 2017-06-01 | 11:00 | 101 Davis | Dr. Sadasivan Shankar (Harvard University) |
Designing Materials One Atom at a Time |
| 2017-05-31 | 16:00 | 101 Davis | Prof. Rampi Ramprasad (University of Connecticut) |
Rational Co-Design of Polymer Dielectrics for Energy Storage |
| 2017-05-31 | 13:00 | 101 Davis | Dr. Sanjay Padhi (Amazon Web Services) |
Amazon Web Service: Evolution of Predictive Analytics – from Bosons to the ‘Bottom Line’ |
| 2017-05-24 | 11:20 | 201 NSC | Prof. Geoff Hutchison (University of Pittsburgh) |
Rational Design of Molecular Materials: Molecular Springs, Solar Cells & More |
| 2017-05-11 | 15:30 | 210 NSC | Prof. Gilbert W. Collins (University of Rochester) |
Matter at Extreme Energy Density: Exotic Solids to Inertial Fusion |
| 2017-05-09 | 15:30 | 210 NSC | Prof. Jianwei Sun (University of Texas at El Paso) |
Efficient and Accurate First-Principles Predictions of Structures and Energies for Condensed Matter Physics, Materials Science, and Chemistry |
| 2017-05-03 | 12:00 | 306 NSC | Prof. Michele Pavanello (Rutgers University) |
Embedding Ground and Excited States in Real and Imaginary Time |
| 2017-05-02 | 15:30 | 150 Farber | Prof. Michael Levitt (Stanford University) |
The Birth and Future of Multiscale Modeling of Macromolecules |
| 2017-04-28 | 16:00 | 210 NSC | Prof. Alán Aspuru-Guzik (Harvard University) |
Billions and Billions of Molecules |
| 2017-04-27 | 15:30 | 210 NSC | Dr. Cai-Zhuang Wang (Ames Laboratory) |
Materials Design and Discovery: How Can Computation Help? |
| 2017-04-24 | 15:30 | 114 Hochstetter | Dr. Faye Zheng (Insight Health Data Science) |
Transitioning to Data-Driven Careers in Industry |
| 2017-04-14 | 18:00 | 101 Davis | Mr. Anthony Cardenuto | An Introduction to TensorFlow Machine Learning |
| 2017-04-13 | 13:00 | 145A SU | Dr. Dennis Patrone (Johns Hopkins University) |
Workshop on Big Data with Apache Accumulo |
| 2017-04-13 | 09:00 | 145A SU | Prof. Matt Knepley (Rice University) |
The Portable Extensible Toolkit for Scientific Computation |
| 2017-04-12 | 16:30 | 101 Davis | Prof. Matt Knepley (Rice University) |
How Should We Write Simulation Software |
| 2017-04-12 | 15:30 | 101 Davis | Prof. Li Wang (UB) |
Uncertainty Quantification for Multiscale Transport Equation |
| 2017-04-12 | 09:00 | 210 SU | Prof. Varis Carey (University of Colorado Denver) |
Workshop on Adjoint Methods for Uncertainty Quantification |
| 2017-04-11 | 15:30 | 101 Davis | Prof. Robert Bies (UB) |
A Genetic Algorithm Approach for Building Pharmacokinetic Models |
| 2017-04-11 | 13:00 | 205 Alfiero | Prof. Haimonti Dutta (UB) |
Workshop on Optimization Methods for Machine Learning |
| 2017-04-11 | 09:00 | 210 SU | Dr. Sharat Chikkerur (Nanigans) |
Workshop on Data Science at the Command Line |
| 2017-04-10 | 15:00 | 110 Knox | Prof. Martin Morgan (Roswell Park Cancer Institute) |
Workshop on R for High-Throughput (Genomic) Analysis |
| 2017-04-10 | 13:30 | 280 Park | Dr. Ye Cao (Oak Ridge National Lab) |
Ferroionics at the Nanoscale: when Ferroelectricity meets Electrochemistry – a Study by Mesoscale Phase-Field Modeling |
| 2017-04-10 | 08:30 | 250 Math | Prof. John Ringland (UB) |
Workshop on Python and Jupyter for Programmers |
| 2017-04-06 | 11:30 | 113A Davis | Prof. Amol Deshpande (University of Maryland) |
A Platform For Enabling Collaborative Data Science |
| 2017-04-03 | 11:00 | 341 Bell | Dr. Kristopher Reyes (Princeton University) |
Computational and Statistical Models to Inform Materials Design and Discovery |
| 2017-03-16 | 15:30 | 109 Knox | Dr. Rahul (Rensselaer Polytechnic Institute) |
Multiscale Modeling of Neutron-Irradiated FCC Metals |
| 2017-03-09 | 15:30 | 109 Knox | Prof. Marianthi Markatou (UB) |
A Semi-Parametric Method for Clustering Mixed Data |
| 2017-03-08 | 11:00 | 206 Furnas | Prof. Scott Calabrese Barton (Michigan State University) |
Quantitative Assessment of Channeling Mechanisms in Nanoscale Catalytic Architectures |
| 2017-03-03 | 10:00 | 206 Furnas | Dr. Oliviero Andreussi (Università della Svizzera Italiana, Italy, EPF Lausanne, Switzerland) |
Multiscale Modelling for Materials and Devices: From Solvation to Plasmonics |
| 2017-03-02 | 16:00 | 206 Furnas | Mr. Mohammad Atif Faiz Afzal (UB) |
CSC Workshop: VMD for Molecular Visualization |
| 2017-02-24 | 16:00 | 210 NSC | Prof. Paul W. Ayers (McMaster University, Canada) |
Strong Electron Correlation |
| 2017-02-16 | 15:30 | 101 Davis | Prof. Wei Chen (Northwestern University) |
Design of Emerging Engineered Materials System |
| 2017-02-08 | 10:30 | 140 Ketter | Dr. James A. Warren (National Institute of Standards and Technology) |
The Materials Genome Initiative: NIST, Data, and Open Science |
| 2017-01-31 | 15:30 | 206 Furnas | Dr. Yang Liu (Massachusetts Institute of Technology) |
Multiscale Modeling of Granular Materials |
| 2017-01-24 | 12:00 | 306 NSC | Prof. Orkid Coskuner Weber (National Institute of Standards and Technology) |
Metallic Systems: A Quantum Chemist’s Perspective |
| 2017-01-12 | 17:00 | 206 Furnas | Computational Science Club (UB) |
Outlook on the Computational Sciences in 2017 |
| 2016-11-09 | 11:00 | 206 Furnas | Prof. Matthew Neurock (University of Minnesota) |
Engineering molecular transformations over supported metal catalysts for the sustainable conversion of biomass-derived intermediates to chemicals and fuels |
| 2016-08-11 | 15:30 | 101 Davis | Dr. Mark Tschopp, Dr. Efraín Hernández-Rivera (Army Research Lab) |
Army Research Laboratory organization, mission, and research: Combining design with materials science for next-generation materials development |
| 2016-08-08 | 12:00 | 364 NSC | Dr. Julie Jung (Max Planck Institute for Chemical Energy Conversion, Germany) |
Ab initio investigation of f-elements: Magnetic and spectroscopic properties |
| 2016-07-14 | 16:00 | 206 Furnas | Mr. Thomas Duignan, Mr. Alexander Marchenko (UB) |
CSC Workshop: Exatomic |
| 2016-07-08 | 12:00 | 228 NSC | Prof. Biplab Sanyal (Uppsala University, Sweden) |
Defects in 2D materials – an ab initio perspective on electronic, structural, optical, and magnetic properties |
| 2016-06-23 | 12:00 | 306 NSC | Dr. Rudolph Magyar (Sandia National Lab) |
Predictive modeling of electrons and ions in warm dense matter |
| 2014-05-28 | 11:00 | 207 Furnas | Dr. Peter Limacher (McMaster University, Canada) |
Pair-only coupled cluster from a viewpoint of geminal wave functions: Accurate bond dissociation curves at MP2-like computational cost |
| 2014-05-14 | 9:15 | 206 Furnas | Dr. Michel Dupuis (Pacific Northwest National Lab) |
The power of computing for chemistry fundamentals in new energy technologies |
| 2014-04-28 | 18:00 | 306 NSC | Dr. Hans Peter Lüthi (ETH Zurich, Switzerland) |
Assisting the search for novel materials using computation: Donor/acceptor functionalization of π-conjugated systems |
| 2014-03-06 | 18:30 | 306 NSC | Dr. Edward Pyzer-Knapp (Harvard University) |
Can we predict porosity in the organic solid state? Insight from the field of crystal structure prediction |
