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Research
Dr. Roitberg
Group
Publications
Adrian E. Roitberg
Full Professor
Department of Chemistry @ University of Florida
Current Members
Ignacio Pickering
2018.08 PhD
ipickering@chem.ufl.edu
Deep Learning
ANI
Ping Lin
2019.08 Scientist
plin1112@ufl.edu
ANI Developer
Machine Learning
Nicholas Terrel
2019.09 PhD
nterrel@ufl.edu
Deep learning
Mikayla Darrows
2020.10 PhD
mdarrows@ufl.edu
Deep Learning
ANI
Abby Held
2020.10 PhD
aheld@chem.ufl.edu
Amber
Dimuthu Kodituwakku
2023.01 PhD
dkodituwakku@ufl.edu
Molecular Dynamics Simulations
Alumni
Justin Smith
2013.08 - 2018.06 PhD
Los Alamos National Laboratory
ANI Core Developer
Pancham Lal Gupta
2013.08 - 2020 PhD
Postdoc at University of Michigan
Effect of pH on proteins
Ankita Sarkar
2014.05 - 2019.08 PhD
iCARE-2 Postdoctoral Research Fellow at Istituto Italiano di Tecnologia
pH dependent properties
pH-REMD
Vinicius Wilian D. Cruzeiro
2014.07 - 2019.05 PhD
Postdoc with
Francesco Paesani
and
Andreas Götz
at UCSD
Amber Developer
Xiang Gao
2014.08 - 2019.08 PhD
NVIDIA
(Deep Learning Framework Engineer)
PyTorch & TorchANI
Theories
Delaram Ghoreishi
2015.05 - 2019.10 PhD
Schrödinger
Amber Developer
Dustin Tracy
2015.05 - 2021.03 PhD
NonAdiabatic Dynamics
Amber Developer
Pilar Buteler
2015.07 - 2021.04 PhD
Postdoc at Eli Lilly
Molecular Dynamic Studies
Sunidhi Lenka
2015.08 - 2021.08 PhD
Postdoc at Genentech
MD on biological systems
Farhad Ramezanghorbani
2015.08 - 2020.12 PhD
Schrödinger
Deep Learning
ANI Developer
Cyril Marinos
2016.08 - 2018.12 Master
Software Engineer
AR/VR Chemical Visualization
Kavindri Ranasinghe
2016.11 - 2022.05 PhD
Research Scientist at Exscientia
Deep Learning
ANI
Christian Devereux
2017.01 - 2022.05 PhD
Sandia National Lab
Deep Learning
ANI Applications
Katherine Huddleston
2018.04 - 2024.05 PhD
Postdoct at UF
Deep Learning
ANI Developer
Jinze (Richard) Xue
2018.08 - 2023.12 PhD
NVIDIA
Deep Learning
ANI Developer
Zhang Dong
2018.08 - 2019.11 -
Deep Learning
ANI
Yinuo Yang
2018.09 - 2024.05 PhD
Microsoft
Deep Learning
Organic Chemistry
Kevin Ryan
2018.09 - 2019.06 Postdoc
Kebotix, Inc.
Deep Learning
Crystal Prediction
Salvador Drusin
2021.01 - 2021.07 Visiting Scholar
Universidad Nacional de Rosario
ANI
João Sequeira
2023.01 - 2023.06 Visiting Scholar
University of Lisbon
Constant pH MD
Amber implementation
Jonathan Semelak
2023.02 - 2023.03 Visiting Scholar
ANI Developer
Amber Developer
Daiana Gioia
2023.08 - 2023.12 Visiting Scholar
University of Buenos Aires
Molecular Dynamics
Drug Screening
Stefan Maste
2023.09 - 2023.12 Visiting Scholar
TU Dortmund University
NMR Calculations
Solvation Effects
Postdoctorial Researchers
Shuai Liang (2014) – Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences
Juan Bueren Calabuig (2013) – Post Doc with Julien Michel at the University of Edinburgh
Gustavo Pierdominici Sottile (2011) – Professor at Universidad Nacional de Quilmes, Argentina
Gustavo Seabra (2009) – Professor at Universidade de Pernambuco, Brazil
Chaehyuk Ko (2010) – Post Doc with Sharon Hammes-Schiffer at Penn State
Graduate Researchers
Chad Hopkins (2016)
Natali Di Russo (2015) – Intel Corporation. (UF Alumni Fellow and HHMI award for International Graduate Student)
Johan Galindo (2014) – Faculty in Colombia.
Dwight McGee (2013) – Bridge to Doctorate Fellow. Senior Scientist at Silicon Therapeutics
Billy Miller III (2013) – Assistant Professor. Truman State University.
Jason Swails (2013) – (NSF Pre-Doctoral Fellow). Lutron Electronics
Danial Sabri Dashti (2013) – Senior Scientist. Amazon Inc.
Yilin Meng (2010) – Senior Scientist. Pfizer.
Maria Ana Castro (2010) – Post Doc at University of Buenos Aires, Argentina. Prof. Dario Estrin.
Dan Sindhikara (2009) – Schrodinger Company, New York.
Elena Dolghih (2009) – Eli Lilly. Indiana.
Ozlem Demir (2008) – Assistant Project Scientist at UC San Diego. Prof. Rommie Amaro
Christina Crecca (2008) – Assistant Professor. Gloucester County College. Pennsylvania.
Georgios Leonis (2008) – Post Doc at Hellenic Research Institute, Greece
Seonah Kim (2007) – National Renewable Energy Laboratory. Golden, CO
Alejandro Crespo (2006) – Merck Research Laboratories. New Jersey.
Undergraduate Researchers
Abia Abia
Mehrnoosh Arrar – Post Doc at the University of Buenos Aires, Argentina
Mallory Gerace – PhD student at Cornell University
Daniel Emerson – PhD student at the University of Pennsylvania with Ivan Dmochowski
Mikolai Fajer – PhD student at UCSD with Andrew McCammon
Robert Abel – Schrodinger
Eva Rivera – PhD from Boston University with John Straub