Yearly Archives 2014

Dr. Marcus Hanwell visits the group

Dr. Marcus D. Hanwell from Kitware, Inc. is visiting the group today. Marcus is a Technical Leader in the Scientific Computing group at Kitware, where he leads the Open Chemistry project. Open Chemistry focuses on developing open-source tools to for chemistry, bioinformatics, and materials science research. He completed an experimental PhD in Physics at the University of Sheffield, a Google Summer of Code developing Avogadro and Kalzium, and a postdoctoral fellowship combining experimental and computational chemistry at the University of Pittsburgh before moving to Kitware, Inc. in late 2009. He is still a core developer of Avogadro, a very popular,
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Categories: News and Visitors.

Dr. Peter Limacher visits the group

Dr. Peter A. Limacher from McMaster University is visiting the group for a couple of days. Peter is a postdoc in the Group of Paul Ayers where he works on geminal and reduced density matrix methods. It is great to have him over to Buffalo (it’s just a short way from Hamilton after all) and we are very excited that he’ll give a seminar on the 28th titled “Pair-only coupled cluster from a viewpoint of geminal wave functions: Accurate bond dissociation curves at MP2-like computational cost”. Funny enough, it’s Peter’s first proper visit to the US, so welcome to the
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Categories: News and Visitors.

Dr. Hans Peter Lüthi visits the group

Dr. Hans Peter Lüthi, a Senior Researcher and Lecturer at the ETH Zurich, is visiting the group for a couple of days. We are very excited to have Hans Peter in Buffalo for a while as he has been on the forefront of many important developments in quantum chemistry, in particular he has been way ahead of his time on Big Data ideas in computational chemistry. He will give a seminar on the 28th titled “Assisting the Search for Novel Materials Using Computation: Donor/Acceptor Functionalization of π-conjugated Systems”. Welcome to the Queen City, Hans Peter!
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Categories: Uncategorized.

Arti Shivram joins the ML team

Arti Shivram – a 4th year grad student in Venu Govindaraju’s group over in Computer Science and Engineering – has decided that she wants to get her hands dirty in the Big Data and ML aspects of computational chemistry. She’ll team up with Mojtaba, Shawn, and Gaurav, and her expertise in the CSE aspects of our project will be invaluable for this ambitious research endeavor.
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Categories: Uncategorized.

Group website and Facebook blog finally go live

Just in time for the 3 month anniversary of the group, we are finally ready to make our group webpage (i.e., this webpage) as well as our “Labchatter” Facebook blog available to the public. Until now they have been living on a local development server or were access restricted, respectively. It took a good bit longer than we had hoped to get this off the ground due to some technical problems, so we are happy and excited to have our web presence open now. http://hachmannlab.cbe.buffalo.edu http://www.facebook.com/hachmanngroup
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Categories: Infrastructure.

The Hachmann and Govindaraju groups join forces

After Johannes gave last week’s group meeting in the Govindaraju Group and had a number of conversations with Venu, the two PIs decided to join forces to tackle some of the Big Data and machine learning challenges that are creating a lot of interest in computational chemistry these days. It is very exciting to be on the forefront on this emerging field and have a partner who is an absolute expert in the CSE aspects of this research. We are very much looking forward to the things to come.
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Categories: Uncategorized.