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Prof. Roi Baer

Researcher interests: Development of time-dependent density functional methods for studying electron dynamics in molecules and clusters, such as excitation energies, electron transmission probabilities through thin films and layers. Quantum Monte Carlo methods for high precision first principle computation of the electronic structure of molecules and molecular properties, such as spectroscopic constants, heats of formation.
FACULTY / SCHOOL: Faculty of Science
Contact Business Development: Amit Hayuth
Stochastic electronic structure (1)Optimally tuned functionals (1)Density functional theory (1)

Selected Publications

Roi Baer, daniel neuhauser, eran rabani, ming chen, tyler y takeshita, wenjie dou
stochastic resolution of identity for real time second order green s function ionization potential and quasi particle spectrum (2019)| Journal of Chemical Theory and Computation| Read more
Roi Baer, daniel neuhauser, eran rabani, ming chen, wenfei li
stochastic embedding dft theory and application to p nitroaniline in water (2019)| Journal of Chemical Physics| Read more
Roi Baer, daniel neuhauser, eran rabani, ming chen
energy window stochastic density functional theory (2019)| Journal of Chemical Physics| Read more
Roi Baer, daniel neuhauser, eran rabani, ronald redmer, yael cytter
transition to metallization in warm dense helium hydrogen mixtures using stochastic density functional theory within the kubo greenwood formalism (2019)| arXiv: Materials Science| Read more
Roi Baer, daniel neuhauser, eran rabani, ming chen, wenfei li
stochastic embedding dft theory and application to p nitroaniline (2019)| arXiv preprint arXiv:1905.07099| Read more
Roi Baer, daniel neuhauser, vojtech vlcek
stochastic time dependent dft with optimally tuned range separated hybrids application to excitonic effects in large phosphorene sheets (2019)| Journal of Chemical Physics| Read more
Roi Baer, daniel neuhauser, vojtech vlcek
stochastic time dependent dft with optimally tuned range separated hybrids application to excitonic effects in large phosphorene sheets (2019)| Journal of Chemical Physics| Read more
Roi Baer, ben shpiro, daniel neuhauser, eran rabani, marcel d fabian
stochastic density functional theory (2019)| Wiley Interdisciplinary Reviews: Computational Molecular Science| Read more
Roi Baer, daniel neuhauser, eran rabani, vojtech vlcek
faster and more accurate stochastic gw (2019)| Bulletin of the American Physical Society| Read more
Roi Baer, daniel neuhauser, eran rabani, vojtech vlcek
nonmonotonic band gap evolution in bent phosphorene nanosheets (2019)| arXiv preprint arXiv:1901.04665| Read more
Roi Baer, efrat lifshitz, joanna dehnel, marcel d fabian, Sanford Ruhman, tufan ghosh
spin blockades to relaxation of hot multi excitons in nanocrystals (2018)| arXiv preprint arXiv:1809.08581| Read more
adele d laurent, adrian w lange, alan aspuruguzik, alec f white, aleksandr v marenich, alex j w thom, alexander j sodt, alexander prociuk, alexis t bell, an ghysels, andreas dreuw, andreas klamt, andreas w hauser, andrew behn, andrew t b gilbert, anna golubevazadorozhnaya, anna i krylov, anthony d dutoi, arie landau, arieh warshel, arne luenser, Roi Baer, barry d dunietz, ben albrecht, benjamin kaduk, bernard r brooks, brian austin, c david sherrill, c melania oana, caroline m krauter, chaoping hsu, ching yeh lin, christian ochsenfeld, christopher f williams, christopher j cramer, chunmin chang, daniel m chipman, daniel s lambrecht, darragh p o neill, David Casanova, david stuck, david w small, debashree ghosh, deborah l crittenden, dirk r rehn, dmitry zuev, dmytro kosenkov, donald g truhlar, edina rosta, edward g hohenstein, emil proynov, eric j berquist, eric j sundstrom, eric neuscamman, ester livshits, ethan alguire, evgeny epifanovsky, fenglai liu, garnet kinlic chan, gregory j o beran, h lee woodcock, hainam do, henry f schaefer, hyunjun ji, igor ying zhang, ilya kaliman, jaehoon kim, jan wenzel, jengda chai, jia deng, jie liu, jihan kim, jing kong, joerg kussmann, john m herbert, john parkhill, joseph e subotnik, joseph gomes, Jun Yang, ka un lao, kai brandhorst, keith v lawler, kirill khistyaev, kristina d closser, ksenia b bravaya, laszlo fustimolnar, leif d jacobson, leslie vogt, lyudmila v slipchenko, magnus w d hansonheine, mark a watson, mark s gordon, martin headgordon, mary a rohrdanz, matthew goldey, michael diedenhofen, michael w schmidt, michael wormit, narbe mardirossian, nicholas a besley, nicholas j mayhall, nicholas j russ, oleg a vydrov, paul m zimmerman, paul r horn, peter m w gill, phil klunzinger, philipp h p harbach, prashant uday manohar, richard g edgar, robert a distasio, roberto olivaresamaya, roberto peverati, rohini c lochan, rollin a king, rustam z khaliullin, ryan m richard, ryan p steele, samuel manzer, sandeep sharma, sergey v levchenko, shaama mallikarjun sharada, shane r yost, shanping mao, shawn t brown, shervin fatehi, simon a maurer, sina yeganeh, siu hung chien, Tamar Stein, steven r gwaltney, takashi tsuchimochi, tao wang, thomas r furlani, thomasc jagau, tim kowalczyk, tomasz kuś, trilisa m perrine, troy van voorhis, vitalii vanovschi, vitaly a rassolov, wanzhen liang, warren j hehre, william a goddard, xin xu, xing zhang, xintian feng, yan zhao, yihan shao, young min rhee, yousung jung, yuchuan su, yunqing chen, yves a bernard, zachary c holden, zhengting gan, zhiqiang you
advances in molecular quantum chemistry contained in the q chem 4 program package (2015)| Molecular Physics| Read more
Roi Baer, jochen autschbach, Leeor Kronik, niranjan govind, Tamar Stein
curvature and frontier orbital energies in density functional theory (2013)| Bulletin of the American Physical Society| Read more
Roi Baer, Leeor Kronik, sivan refaelyabramson, Tamar Stein
excitation gaps of finite sized systems from optimally tuned range separated hybrid functionals (2012)| Journal of Chemical Theory and Computation| Read more

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Amit Hayuth
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