All news

Every news item from the lab since 2012, newest first. Use the filter box to search.

Date Title Author Categories
2023-01-28 Two SIC articles accepted for publication Yoh Yamamoto  
2022-04-22 Neuralxc installation Luis Basurto  
2022-04-22 Installing libnxc Luis Basurto  
2022-04-15 Note about libxc/libnxc unpolarized functional Yoh Yamamoto  
2022-02-14 Barrier height article published in Journal of Chemical Physics Yoh Yamamoto  
2021-11-22 Plot of Fermi orbitals and Fermi Lowdin orbitals Selim Romero FLOs CuO-, FOs CuO-, CuO-, orbital plot, CuO
2021-07-31 Past lab member, Zack Buschmann, now works at SLAC National Accelerator Laboratory Yoh Yamamoto  
2021-07-31 Density-consistent effective potential (DCEP) method article accepted for publication Yoh Yamamoto  
2021-05-15 Zack’s MS thesis named best in College of Science admin  
2021-05-14 Carlos Diaz gets his PhD ceremony admin  
2021-05-10 Krieger-Li-Iafrate approximation article Yoh Yamamoto  
2021-03-20 Polyacene polarizability article is published Yoh Yamamoto  
2021-03-08 FLOSIC in real space Yoh Yamamoto  
2021-01-18 “Local self-interaction correction method with a simple scaling factor” accepted to PCCP Yoh Yamamoto  
2021-01-08 Selim’s Blog Selim Romero  
2020-10-06 Water dipole polarizability article accepted to Journal of Chemical Physics Yoh Yamamoto  
2020-07-10 SIC-rSCAN article accepted to PCCP Yoh Yamamoto  
2020-05-11 Self-interaction error and binding energies of water cluster on PNAS Yoh Yamamoto  
2020-04-10 The SOSIC article accepted for publication in the Journal of Chemical Physics Yoh Yamamoto FLOSIC, publication
2020-03-28 Electronic Structure Lab work highlighted by Department of Energy admin ESLAB, DOE, sic
2020-03-04 Water Cluster Anion Work is on the PCCP Cover Yoh Yamamoto  
2019-12-16 Water cluster anions article accepted on PCCP Yoh Yamamoto  
2019-12-05 Local self-interaction correction (LSIC) article published Yoh Yamamoto  
2019-11-09 Jorge leaves the lab   Pictures
2019-11-09 FLOSIC All Hands Meeting 2019   Pictures
2019-10-18 FLOSIC-SCAN paper published in JCP Yoh Yamamoto  
2019-03-19 Electronic Structure Lab in 2019 Yoh Yamamoto  
2019-02-06 Bug Report Template Yoh Yamamoto  
2019-01-08 HPC job script example Yoh Yamamoto  
2018-07-18 NRLMOL Run Checklist Yoh Yamamoto  
2018-05-31 FLOSIC dinner meeting   Pictures
2018-05-30 Visit from Ruben Casillas   Pictures
2018-05-07 Resources for Learning Fortran Yoh Yamamoto  
2018-03-29 Compiling PCM Driver on HPC with Intel Fortran - 2018 Edition (Updated: won’t link) Yoh Yamamoto  
2018-01-05 Electronic Structure Lab featured on UTEP Campus News Yoh Yamamoto  
2017-09-19 15.09 SIC Code - Energy Testing Yoh Yamamoto sic, testing
2017-09-19 15.09 SIC Code - Carbon Atom FOD Optimization Yoh Yamamoto sic, testing
2017-09-19 15.09 SIC code - FOD Force testing Yoh Yamamoto sic, testing
2017-06-02 Doxygen Example Yoh Yamamoto  
2017-03-15 ESL in APS   Pictures
2017-01-04 Satrting a calculation from INPUT Luis Basurto  
2016-12-23 Marco Olguin visits   Pictures
2016-08-03 The Electronic Structure Lab congratulates its recent MS recepients   Pictures
2016-07-01 Dr. Ulises Reveles visits us   Pictures
2016-07-01 Farewell to Suhua   Pictures
2016-05-13 Creating membership files from xyz files admin density of states python membership
2016-03-16 Math support admin math formula
2016-02-19 Dr. Gloria Cardenas-Jiron visit us   Pictures
2016-02-19 Kamal presents at the joint UTEP/NMSU colloqium   Pictures
2016-02-09 UTEP Physics dept seminar Spring 2016 admin  
2016-02-09 Libxc dX40 testing using PW91 Yoh Yamamoto Libxc, Exchange-Correlation, PW91
2016-01-12 Libxc dX40 testing Yoh Yamamoto Exchange-Correlation, Libxc, Hammix
2015-12-17 SOGGA11 GAUSSIAN Yoh Yamamoto SOGGA11, Exchange-Correlation, Gaussian
2015-12-16 Libxc Comparison Yoh Yamamoto Libxc, PBE, Hammix, Exchange-Correlation
2015-08-25 ESL visits TACC   Pictures
2015-08-13 Nabil Hoque defends his thesis   Pictures
2015-08-13 Summer luncheon for the Electronic Structure Lab   Pictures
2015-08-13 Ember Sikorski wins Honorable Mention admin Ember, Sikorski, COURI, award
2015-06-26 Visit from Dr. Reveles   Pictures
2015-06-02 Video on DFT admin  
2015-05-31 Nabil obtains his Master’s degree   Pictures
2015-05-29 Fatemeh wins PREM achievement award admin Fatemeh publication PREM award
2015-05-07 Creating multiplots with Gnuplot Luis Basurto  
2015-04-23 Show output in browser Luis Basurto  
2015-04-08 Compiling using Cray Compilers on Hopper (updated) cdiaz  
2015-03-30 Plotting wave functions using Jmol (updated) admin  
2015-03-06 Visit from Dr. Mark Pederson   Pictures
2015-03-06 Fatemeh at the March APS meeting   Pictures
2015-03-06 Luis Basurto presents at the XI International Symposium of Radiation Physics admin  
2015-01-06 Using the vi editor admin vi, linux
2014-12-10 Using the JSmol applet Luis Basurto jsmol jmol povray
2014-12-10 Plotting using POVray Luis Basurto  
2014-09-25 Performing vibrational analysis admin vibrational, analysis, group, vib
2014-09-18 How to plot the polarizability of the cluster using jmol sbhusal  
2014-08-08 Shusil defended his MS thesis admin  
2014-08-08 Fatemeh dedenfed her MS Thesis admin  
2014-07-15 Starting calculation from SYMBOL changes Luis Basurto  
2014-06-21 Visit from Ulises admin  
2014-06-12 Sparse representation Luis Basurto  
2014-06-05 We need a script for that Luis Basurto  
2014-05-15 visit from Ruben Casillas admin  
2014-05-14 Organic solar cells video Luis Basurto  
2014-05-02 Ember Sikorski awarded Honorable Mention admin  
2014-04-07 Dr. Perla Balbuena visits us! admin  
2014-03-24 Elctronic Structure Lab members in Abilene admin  
2014-01-08 Using the Stampede cluster Luis Basurto TACC, stampede, guide, submit, jobs
2013-12-16 Sparsity of Hamiltonian and overlap matrices Luis Basurto  
2013-12-03 How to run a job with less processors than a full node in Hopper Luis Basurto Hopper, nersc, job, node
2013-12-02 More basis testing Luis Basurto  
2013-10-29 Basis testing Luis Basurto  
2013-10-22 The Electronic Structure Lab in the Texas section APS in Brownsville admin APS Brownsville
2013-09-26 DIPOLE and Joint DOS calculation admin nrlmol dosjnt dipole excite
2013-08-26 Youtube presentation on organic photovoltaics admin  
2013-08-23 NRLMOL GUI admin nrlmol, GUI, java
2013-08-19 IMRC 2013 admin Tunna, Baruah, Rajendra, Zope, Cancun, Mexico, IMRC
2013-07-29 Marco Olguin defended his dissertation admin Marco, Olguin, dissertation
2013-07-29 Luis Basurto defended his dissertation admin  
2013-07-22 GUI tutorial admin  
2013-05-30 Molecular Viewer Test Luis Basurto  
2013-05-22 Running jobs at Hopper Luis Basurto Hopper, nersc, job
2013-05-21 Density Functional Theory video Luis Basurto  
2013-05-17 Plotting wave functions using Jmol admin  
2013-05-15 Images from Physics Live 2013   Pictures
2013-05-15 Como Moments workshop on molecular magnetism and transport admin nrlmol, workshop, molecular, magnetism, italy
2013-05-10 Electronic Structure Group during Physics Live 2013 admin Physics, Live, 2013
2013-05-09 Marco Olguin attended the Organic Solar Cells conference at Santa Fe, New Mexico admin Marco, Olguin, Organic, Solar, Cells, Los, Alamos, Santa, Fe
2013-04-29 Dr. Shiv Khanna gave a seminar in our department admin Dr. Shiv Khanna virginia vcu seminar physics superatoms
2013-04-26 Carlos Diaz awarded best poster presentation admin Carlos, Diaz, poster, award, COURI
2013-04-25 Dr. Zope attended a meeting in Jekyll island admin  
2013-04-11 Starting calculation from SYMBOL file admin SYMBOL, ISYMGEN, GRPMAT, RUNS
2013-04-08 Carlos Diaz at the Texas APS meeting in Stephenville admin Texas, APS, Stephenville, Carlos, Diaz
2013-04-08 Fatemeh Amerikheirabadi at the Texas APS meeting in Stephenville admin Texas, APS, Stenphenville, Fatemeh, Amerikheirabadi
2013-04-08 Amanda Garnica at the Texas APS meeting in Stephenville admin Texas, APS, Stephenville, Amanda, Garnica
2013-04-08 Luis Basurto at the Texas APS meeting in Stephenville admin Texas, APS, Stephenville, Luis, Basurto
2013-03-25 Electronic structure group in the APS March meeting admin APS Baltimore
2013-03-25 Marco Olguin during an oral presentation in the March APS meeting admin APS Baltimore Olguin
2013-03-25 Luis Basurto during an oral presentation in the March APS meeting admin APS Baltimore Basurto talk
2013-03-04 Setting up an excited state calculation Luis Basurto excited, state, OCCEXC, java
2012-12-18 Luis Basurto defends his proposal admin Luis, Basurto, Master, proposal, defense
2012-12-18 Marco Olguin defends his proposal admin Marco, Olguin, Master, thesis, defense
2012-11-21 Luis Basurto awarded outstanding presentation admin APS, Lubbock, Texas, section, presentation, outstanding
2012-11-09 Dr. Zope attended SWRMACS 2012 admin ACS, Baton, Rouge, Zope
2012-11-08 2012 UTEP Graduate Research Exposition admin UTEP, presentation, Marco, Olguin
2012-10-30 Texas APS meeting admin APS, Texas, poster, presentation
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