Materials Modeling

Shared Resources

(336) 758 3223
cfm@wfu.edu

HPC cluster: massively parallel CPUs • GPUs • storage • networking • Slurm • high-performance libraries

Gaussian • NWChem • ADF • Vasp • Lammps • Siesta/Transiesta • Lumerical • VMD • Mathematica

Abinit • Quantum Espresso • Wien2k • Exciting • AtomPAW

Mathematica

Thonhauser Lab

(336) 758 3991
cfm@wfu.edu

Abinit • Elk • Quantum Espresso • Gaussian • GaussView • Gulp • Lammps • Siesta • Vasp • Vasp tst tools • CrystalMaker • Vesta • Avogadro • LaTeX • XCrysDen • JMol • JICE • VMD • Mathematica • Matlab

Materials Synthesis, Processing, and Characterization

Shared Resources

(336) 758 3223
cfm@wfu.edu

department of chemistry: Zeiss Gemini 300 FE-SEM with Bruker EDS • Bruker 400 MHz NMR ascend magnet with 5mm Prodigy BBFO probe • Bruker 400 MHz NMR ascend magnet with smart BBO probe and InSightMR • Bruker desktop D2Phaser powder diffraction system • Bruker D8 Discover with DaVinci system • Bruker APEX CCD x-ray diffractometer • Agilent 8800 ICP-MS/MS • Agilent 4200 MP-AES • high-resolution thermo LTQ-Orbitrap XL LC-MS with Accela Open 1200 UHPLC • Agilent GC-MS system with a 7890A series GC and 5975C mass selective detector and auto sampler • Bruker LC-MS Amazon SL ion trap with Shimadzu LC • Advion Compact LC-MS with TLC express plate reader    department of physics: thin-film physical vapor deposition instrument    microscopic imaging core facility: LSM 880 confocal microscope • AxioZoom V16 • LSM 710 confocal microscope • scanning electron microscope • upright microscope • inverted microscope • epi-fluorescent stereomicroscope

transient absorption spectroscopy and microscopy • impulsive stimulated Raman spectroscopy (transient absorption spectroscopy with ultrashort pulses 7 fs) • CW photo-induced absorption spectroscopy • 2-dimensional coherent spectroscopy • charge-modulation spectroscopy and microscopy

ALD chamber • glove box and inert atmosphere synthesis • GC-TCD/FID for catalysis quantification • electrochemical workstations • rotating ring-disk electrode • AM 1.5G solar simulator • photocatalysis chambers • integrating sphere for quantum yield

Amplified femtosecond laser (20W, 1030 nm, 100 KHz) • femtosecond
oscillator (8W, 1030 nm, 80 MHz) • Optical parametric amplifier • ultrafast
transient absorption spectrometer • ultrafast diffuse reflectance
spectrometer • Photocatalysis setup • AM 1.5G solar simulator • Spin-coater •
Schlenk line for air-free materials synthesis • Bench-top centrifuge

high-temperature materials processing • electrochemical impedance spectroscopy • ball milling • tape casting • physical adsorption surface area analysis • gas adsorption calorimetry • thermogravimetric analysis • differential scanning calorimetry • thermomechanical analysis • temperature controlled vacuum activation

semiconductor parameter analyzer • low-temperature probe station • ambient temperature probe station • high-voltage source measure unit • photocurrent • glove box • microscope with polarized light • spray-deposition chamber • spin coater • parylene deposition setup • differential scanning calorimeter (100 K–400K)

amplified femtosecond laser (20W, 1030 nm, 100 KHz) • femtosecond oscillator (8W, 1030 nm, 80 MHz) • home-built non-collinear parametric amplifiers • pulse compression and characterization systems for 10 fs visible/near IR optical pulses • ultrafast transient absorption spectrometer • multi-dimensional spectrometer • SPDC sources of entangled photon pairs • biphoton interferometer • experimental setups for quantum process tomography and quantum-optical spectroscopy

synthesis: tubular high-temperature controlled atmosphere furnaces • high-energy sonicators • solvothermal autoclaves    characterization: PXRD • IR spectroscopy • diffuse reflectance spectroscopy • surface-area analysis by physisorption/chemisorption    catalytic performance: batch reactors • continuous flow reactors • photocatalytic setup

five 8’ fume hoods • bench space for group specific instrumentation • CEM discover microwave reactor • Harrison model 7924T chromatotron • Neslab RTE-140 recirculating chiller • five rotary evaporators • three analytical balances • several high-vacuum pumps • two explosion proof refrigerator/freezers for chemical storage

Williams/Ucer Lab

(336) 758 5132
williams@wfu.edu

femtosecond amplified Ti:sapphire laser (4 mJ/pulse, 10 Hz, 200 fs) with tunable OPA • pump-probe absorption spectrometer • optical parametric amplifier (1100 nm–2700 nm) • Q-switched Nd:YAG laser (fundamental, 2nd, 3rd, 4th, 5th harmonics) • transient absorption spectroscopy (200 fs resolution) • Hamamatsu streak camera fluorescence spectrometer (20 ps resolution) • 2-photon scanning multi-modal (photoluminescence, reflection, photocurrent) microscope • gamma spectrometer