User Tools

Site Tools


authors

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revision Previous revision
Next revision
Previous revision
authors [2021/05/28 09:06]
bast updating my info
authors [2022/01/27 09:18] (current)
timo.fleig
Line 13: Line 13:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:​developers:​luuk_visscher.jpg?100|}}+{{:​developers:​visscher.jpg?100|}}
 <​newcolumn>​ <​newcolumn>​
 **Lucas Visscher** \\ **Lucas Visscher** \\
-http://www.chem.vu.nl/~visscher/ \\ +https://research.vu.nl/en/​persons/​l-visscher ​\\ 
- ​general structure, relativistic coupled cluster methods, ​L&​eacute;​vy-Leblond equation+ORCID: [[https://​orcid.org/​0000-0002-7748-6243|0000-0002-7748-6243]]\\ 
- ​spinfree Dirac equation, ​4-index transformation ​module+ ​general structure, relativistic coupled cluster methods, ​direct CI module
- direct CI module (from MOLFDIR) ​+ ​spinfree Dirac equation, index transformation ​routines, interfaces
 +  
 </​columns>​ </​columns>​
 ---- ----
Line 27: Line 28:
 **Hans Jørgen Aagaard Jensen** \\ **Hans Jørgen Aagaard Jensen** \\
 http://​www.sdu.dk/​staff/​hjj.aspx \\ http://​www.sdu.dk/​staff/​hjj.aspx \\
 +ORCID: [[http://​orcid.org/​0000-0002-8743-7381|0000-0002-8743-7381]]\\
  ​general structure, quaternion symmetry scheme, linear response module, quadratic response module,  ​general structure, quaternion symmetry scheme, linear response module, quadratic response module,
  ​open-shell Hartree-Fock,​ Kramers-restricted MCSCF,  ​open-shell Hartree-Fock,​ Kramers-restricted MCSCF,
Line 34: Line 36:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:​developers:​radovan_bast.jpg?100|}}+{{radovan-bast.jpg?100|}}
 <​newcolumn>​ <​newcolumn>​
 **Radovan Bast** \\ **Radovan Bast** \\
 https://​bast.fr \\ https://​bast.fr \\
 +ORCID: [[https://​orcid.org/​0000-0002-7658-1847|0000-0002-7658-1847]]\\
  SDFT linear and quadratic response, higher order response properties, visualization,​  SDFT linear and quadratic response, higher order response properties, visualization,​
  PV NMR properties, XC evaluation, CMake framework, testing, dashboard, website ​  PV NMR properties, XC evaluation, CMake framework, testing, dashboard, website ​
Line 81: Line 84:
 <​newcolumn>​ <​newcolumn>​
 **Kenneth G. Dyall** \\ **Kenneth G. Dyall** \\
 +ORCID: [[https://​orcid.org/​0000-0002-5682-3132|0000-0002-5682-3132]]\\
  basis sets   basis sets 
 </​columns>​ </​columns>​
Line 110: Line 114:
 <​newcolumn>​ <​newcolumn>​
 **Elke Fasshauer** \\ **Elke Fasshauer** \\
-http://www.pci.uni-heidelberg.de/​tc/​usr/​elke/ \\+ORCID: [[https://orcid.org/0000-0002-6227-8476|0000-0002-6227-8476]]\\
  ​FanoADC,​ testing ​  ​FanoADC,​ testing ​
 </​columns>​ </​columns>​
Line 119: Line 123:
 **Timo Fleig** \\ **Timo Fleig** \\
 http://​dirac.ups-tlse.fr/​fleig/​ \\ http://​dirac.ups-tlse.fr/​fleig/​ \\
- large-scale ​electron correlation modules, ​Configuration Interaction (LUCITA, LUCIAREL), LUCIAREL in KR-MCSCF+ORCID: [[https://​orcid.org/​0000-0001-6002-2920|0000-0001-6002-2920]]\\ 
- ​contributions to General-Order Coupled Cluster+ Large-scale Configuration Interaction ​codes (LUCITA, LUCIAREL in KR-MCSCF ​and KR-CI)
- linear-response CC for excitation energieselectron EDM enhancement factors as KR-CI expectation values ​+ atomic and molecular hyperfine interactionsP,​T-violating properties in KR-CI 
 </​columns>​ </​columns>​
 ---- ----
Line 132: Line 136:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
 +{{::​halbert.jpeg?​100|}}
 <​newcolumn>​ <​newcolumn>​
 **Loïc Halbert** \\ **Loïc Halbert** \\
 +ORCID: [[https://​orcid.org/​0000-0003-4257-6086|0000-0003-4257-6086]]\\
 Equation of motion coupled cluster (EOMCC), core properties Equation of motion coupled cluster (EOMCC), core properties
 </​columns>​ </​columns>​
Line 141: Line 147:
 <​newcolumn>​ <​newcolumn>​
 **Erik Donovan Hedegård** \\ **Erik Donovan Hedegård** \\
 +ORCID: [[https://​orcid.org/​0000-0002-3868-1206|0000-0002-3868-1206]]\\
 http://​www.teokem.lu.se/​people/​postdocs/​hedegaard/​ \\ http://​www.teokem.lu.se/​people/​postdocs/​hedegaard/​ \\
  ​polarizable embedding  ​polarizable embedding
Line 157: Line 164:
 **Johan Henriksson** \\ **Johan Henriksson** \\
  DFT quadratic response, two-photon absorption ​  DFT quadratic response, two-photon absorption ​
 +</​columns>​
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{::​martin_vanhorn.jpg?​100|}}
 +<​newcolumn>​
 +**Martin van Horn** \\
 +ORCID: [[https://​orcid.org/​0000-0002-6143-0480]]\\
 +Electronic circular dichroism beyond the electric dipole approximation
 </​columns>​ </​columns>​
 ---- ----
Line 163: Line 178:
 <​newcolumn>​ <​newcolumn>​
 **Miroslav Iliaš** \\ **Miroslav Iliaš** \\
-http://​www.fpv.umb.sk/​en/​milias/​ \\+web: http://​www.fpv.umb.sk/​en/​milias/ ​\\ 
 +ORCID: [[https://​orcid.org/​0000-0002-8038-6489|0000-0002-8038-6489]]\\
  ​two-component Hamiltonians,​ London orbitals, maintenance and bugfixing,  ​two-component Hamiltonians,​ London orbitals, maintenance and bugfixing,
 </​columns>​ </​columns>​
Line 172: Line 188:
 **Christoph R. Jacob** \\ **Christoph R. Jacob** \\
 http://​www.christophjacob.eu \\ http://​www.christophjacob.eu \\
 +ORCID: [[https://​orcid.org/​0000-0002-6227-8476|0000-0002-6227-8476]]\\
  ​frozen-density embedding and WFT-in-DFT embedding ​  ​frozen-density embedding and WFT-in-DFT embedding ​
 </​columns>​ </​columns>​
Line 219: Line 236:
 <​newcolumn>​ <​newcolumn>​
 **Nanna Holmgaard List** \\ **Nanna Holmgaard List** \\
 +ORCID: [[https://​orcid.org/​0000-0002-0246-3995|0000-0002-0246-3995]]\\
  ​Linear absorption beyond the electric-dipole approximation ​  ​Linear absorption beyond the electric-dipole approximation ​
 </​columns>​ </​columns>​
Line 243: Line 261:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:​developers:​gosia_olejniczak_profile.png?100|}}+{{:​developers:​gosia_olejniczak_profile.jpg?100|}}
 <​newcolumn>​ <​newcolumn>​
 **Gosia Olejniczak** \\ **Gosia Olejniczak** \\
Line 261: Line 279:
 {{:​developers:​jmho.jpg?​100|}} {{:​developers:​jmho.jpg?​100|}}
 <​newcolumn>​ <​newcolumn>​
-**Jógvan Magnus ​H.  ​Olsen** \\+**Jógvan Magnus ​Haugaard ​Olsen** ​\\ 
 +https://​orbit.dtu.dk/​en/​persons/​j%C3%B3gvan-magnus-haugaard-olsen \\ 
 +ORCID: [[https://​orcid.org/​0000-0001-7487-944X|0000-0001-7487-944X]]\\
  ​polarizable embedding  ​polarizable embedding
 </​columns>​ </​columns>​
Line 299: Line 319:
 <​newcolumn>​ <​newcolumn>​
 ** Roberto Di Remigio ** \\ ** Roberto Di Remigio ** \\
 +ORCID: [[https://​orcid.org/​0000-0002-5452-9239|0000-0002-5452-9239]]\\
  ​Polarizable Continuum Model (PCM) for solvent effects, electrostatic potential ​  ​Polarizable Continuum Model (PCM) for solvent effects, electrostatic potential ​
 </​columns>​ </​columns>​
Line 306: Line 327:
 <​newcolumn>​ <​newcolumn>​
 **Michal Repisky** \\ **Michal Repisky** \\
 +ORCID: [[https://​orcid.org/​0000-0003-0776-4137|0000-0003-0776-4137]]\\
  ​integral library InteRest, X-AMFI X2C Hamiltonian,​ ReSpect interface ​  ​integral library InteRest, X-AMFI X2C Hamiltonian,​ ReSpect interface ​
 </​columns>​ </​columns>​
Line 313: Line 335:
 <​newcolumn>​ <​newcolumn>​
 **Kenneth Ruud** \\ **Kenneth Ruud** \\
 +ORCID: [[https://​orcid.org/​0000-0003-1006-8482|0000-0003-1006-8482]]\\
  ​integral code, in particular for magnetic properties (from Dalton) ​  ​integral code, in particular for magnetic properties (from Dalton) ​
 </​columns>​ </​columns>​
Line 333: Line 356:
 <​newcolumn>​ <​newcolumn>​
 **Bruno Senjean** \\ **Bruno Senjean** \\
 +[[https://​orcid.org/​0000-0003-1706-015X|https://​orcid.org/​0000-0003-1706-015X]] \\
  ​OpenFermion interface  ​OpenFermion interface
 </​columns>​ </​columns>​
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
 +{{:​headshot.jpg?​200|}}
 <​newcolumn>​ <​newcolumn>​
 **Avijit Shee** \\ **Avijit Shee** \\
 +[[https://​orcid.org/​0000-0001-5042-3843|https://​orcid.org/​0000-0001-5042-3843]] \\
  ​General tensor contraction infrastucture in RELCCSD, CC expectation values  ​General tensor contraction infrastucture in RELCCSD, CC expectation values
 </​columns>​ </​columns>​
Line 354: Line 380:
 **Ayaki Sunaga** \\ **Ayaki Sunaga** \\
 https://​researchmap.jp/​asunaga/?​lang=en \\ https://​researchmap.jp/​asunaga/?​lang=en \\
-ORCID: [[https://​orcid.org/​0000-0002-3802-680X]]\\+ORCID: [[https://​orcid.org/​0000-0002-3802-680X|0000-0002-3802-680X]]\\
  ​atomic supersymmetry ​  ​atomic supersymmetry ​
 </​columns>​ </​columns>​
Line 386: Line 412:
 **Marta L. Vidal** \\ **Marta L. Vidal** \\
 [[https://​www.dtu.dk/​service/​telefonbog/​person?​id=129401&​tab=2&​qt=dtupublicationquery]] \\ [[https://​www.dtu.dk/​service/​telefonbog/​person?​id=129401&​tab=2&​qt=dtupublicationquery]] \\
 +ORCID: [[https://​orcid.org/​0000-0002-6227-8476|0000-0002-6227-8476]]\\
 Equation of motion coupled cluster (EOMCC), core properties Equation of motion coupled cluster (EOMCC), core properties
 </​columns>​ </​columns>​
Line 428: Line 455:
 **Johann V. Pototschnig** \\ **Johann V. Pototschnig** \\
 ORCID: [[https://​orcid.org/​0000-0002-9982-0556|0000-0002-9982-0556]]\\ ORCID: [[https://​orcid.org/​0000-0002-9982-0556|0000-0002-9982-0556]]\\
- ​Relativistic coupled ​custer, ExaCorr Development+ ​Relativistic coupled ​cluster, ExaCorr Development 
 +</​columns>​ 
 +---- 
 +<columns 100% first column attributes 15% second column attributes -> 
 +{{::?​direct&​100|}} 
 +<​newcolumn>​ 
 +**Xiang Yuan** \\ 
 +ORCID: [[https://​orcid.org/​0000-0001-8928-9872|0000-0001-8928-9872]]\\ 
 + ​Relativistic coupled cluster, ​ ExaCorr Development : MP2 frozen natural orbitals 
 +</​columns>​ 
 +---- 
 +<columns 100% first column attributes 15% second column attributes -> 
 +{{::?​direct&​100|}} 
 +<​newcolumn>​ 
 +**Chima Chibueze** \\ 
 + ​Relativistic coupled cluster, ​ ExaCorr Development : open-shell systems
 </​columns>​ </​columns>​
authors.1622185608.txt.gz · Last modified: 2021/05/28 09:06 by bast